- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 43.2:
      O   HA    MET   11 - HN    MET   11   2.81 +/- 0.07  96.859% * 99.3074% (0.95  10.0   3.37  43.23) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.06 +/- 0.35   3.115% *  0.0762% (0.73   1.0   0.02  12.22) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.47 +/- 0.83   0.025% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.26 +/- 2.72   0.001% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.93 +/- 1.63   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.65 +/- 2.27   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  39.00 +/- 4.53   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  37.74 +/- 3.66   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  36.59 +/- 1.74   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  34.46 +/- 2.15   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  33.39 +/- 2.35   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  39.66 +/- 3.02   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.54, support = 2.88, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.78 +/- 0.14  36.168% * 68.6590% (0.71  10.0   2.38  12.31) =  55.631%  kept
      O   HA    MET   11 - HN    ALA   12   2.52 +/- 0.14  63.770% * 31.0568% (0.32  10.0   3.51  12.22) =  44.369%  kept
          HA    GLU-  14 - HN    ALA   12   8.18 +/- 0.45   0.062% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.61 +/- 1.31   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.29 +/- 2.35   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  35.12 +/- 2.99   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.60 +/- 2.18   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.60 +/- 1.44   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  36.25 +/- 3.77   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.71, residual support = 5.18:
      O   HA    ALA   12 - HN    SER   13   2.51 +/- 0.17  97.058% * 97.9811% (0.14  10.0   1.71   5.18) =  99.995%  kept
          HA    GLU-  14 - HN    SER   13   4.64 +/- 0.44   2.942% *  0.1675% (0.20   1.0   0.02   6.67) =   0.005%
          HA    PHE   59 - HN    SER   13  24.31 +/- 1.30   0.000% *  0.4454% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  31.50 +/- 3.07   0.000% *  0.8299% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.27 +/- 1.80   0.000% *  0.4454% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.56 +/- 2.66   0.000% *  0.1306% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.71:
      O   QB    SER   13 - HN    SER   13   2.98 +/- 0.29  99.962% * 99.5044% (0.87  10.0   2.06   7.71) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  14.79 +/- 2.56   0.023% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  15.04 +/- 2.04   0.014% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.47 +/- 1.42   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.61 +/- 2.55   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  31.51 +/- 1.46   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.57 +/- 0.07  99.710% * 99.5491% (0.81  10.0   5.47  50.10) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.08 +/- 0.14   0.233% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.59 +/- 0.43   0.012% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  10.57 +/- 1.26   0.028% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.42 +/- 1.27   0.006% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.39 +/- 0.59   0.005% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  17.31 +/- 2.19   0.003% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.53 +/- 1.17   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  20.69 +/- 3.14   0.002% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 77.0:
      O   HA    VAL   18 - HN    VAL   18   2.88 +/- 0.02  99.316% * 98.8751% (0.36  10.0   5.49  77.00) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.69 +/- 0.08   0.632% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  10.82 +/- 0.80   0.041% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.02 +/- 1.20   0.004% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.11 +/- 2.03   0.003% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.30 +/- 0.87   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.94 +/- 0.79   0.002% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.03 +/- 0.59   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.67:
      O   HA    SER   13 - HN    GLU-  14   2.47 +/- 0.22  98.174% * 99.4257% (0.67  10.0   2.10   6.67) =  99.998%  kept
          HA    GLU-  15 - HN    GLU-  14   5.10 +/- 0.55   1.787% *  0.0994% (0.67   1.0   0.02   0.82) =   0.002%
          HA    GLN   17 - HN    GLU-  14  10.05 +/- 0.63   0.029% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  14.38 +/- 2.93   0.006% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.87 +/- 1.78   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  20.69 +/- 1.43   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.98 +/- 1.18   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.09 +/- 1.22   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.66 +/- 4.85   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.37 +/- 1.14   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.44, residual support = 16.5:
          HN    GLN   17 - HN    GLY   16   2.36 +/- 0.10  99.987% * 86.2178% (0.13   3.44  16.50) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.82 +/- 0.87   0.004% *  3.6716% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  12.18 +/- 1.44   0.008% *  0.5716% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  17.31 +/- 0.97   0.001% *  2.5446% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  22.11 +/- 1.59   0.000% *  3.4196% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  25.02 +/- 1.85   0.000% *  3.5750% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.36 +/- 0.10 100.000% * 99.8536% (1.00 10.00   3.44  16.50) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.21 +/- 1.59   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.25 +/- 0.63   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.479, support = 2.08, residual support = 6.14:
      O   HA    GLU-  15 - HN    GLY   16   2.67 +/- 0.15  97.214% * 76.7307% (0.47  10.0   2.07   6.06) =  99.199%  kept
          HA    GLN   17 - HN    GLY   16   4.89 +/- 0.09   2.661% * 22.6322% (0.97   1.0   2.90  16.50) =   0.801%  kept
          HA    SER   13 - HN    GLY   16   8.76 +/- 0.58   0.091% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.27 +/- 0.97   0.011% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.87 +/- 1.59   0.007% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.28 +/- 1.22   0.012% *  0.0487% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.39 +/- 0.94   0.003% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.07 +/- 1.07   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  22.76 +/- 1.99   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.765, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.55 +/- 0.17  54.588% * 12.6997% (0.90   0.02   0.02) =  70.947%  kept
          HA    VAL   70 - HN    GLY   16   6.90 +/- 1.11  44.468% *  6.1679% (0.44   0.02   0.02) =  28.069%  kept
          HA    LYS+  33 - HN    GLY   16  14.55 +/- 1.47   0.474% * 10.5138% (0.75   0.02   0.02) =   0.510%  kept
          HA    GLU-  29 - HN    GLY   16  17.58 +/- 1.24   0.146% * 12.3380% (0.87   0.02   0.02) =   0.185%
          HA    GLN   32 - HN    GLY   16  17.63 +/- 1.34   0.140% *  9.4500% (0.67   0.02   0.02) =   0.136%
          HA    GLN  116 - HN    GLY   16  19.63 +/- 2.63   0.102% *  6.1679% (0.44   0.02   0.02) =   0.064%
          HA    SER   48 - HN    GLY   16  23.06 +/- 1.77   0.033% * 12.6997% (0.90   0.02   0.02) =   0.043%
          HA    ALA   88 - HN    GLY   16  26.55 +/- 2.98   0.016% *  9.9899% (0.71   0.02   0.02) =   0.017%
          HB2   SER   82 - HN    GLY   16  26.78 +/- 1.08   0.012% * 13.2768% (0.94   0.02   0.02) =   0.016%
          HD2   PRO   52 - HN    GLY   16  24.70 +/- 1.40   0.020% *  6.6964% (0.47   0.02   0.02) =   0.014%
    Distance limit 3.41 A violated in 20 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.978, support = 5.08, residual support = 82.1:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  60.403% * 95.5849% (0.99  10.0   5.17  84.37) =  97.318%  kept
          HA    GLU-  15 - HN    GLN   17   3.10 +/- 0.05  39.521% *  4.0254% (0.49   1.0   1.72   0.02) =   2.682%  kept
          HA    SER   13 - HN    GLN   17   9.69 +/- 0.52   0.046% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.09 +/- 0.65   0.012% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.42 +/- 1.47   0.003% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.79 +/- 1.02   0.006% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.25 +/- 0.91   0.007% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.29 +/- 1.09   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.07 +/- 2.04   0.001% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.4:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.37) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.65 +/- 2.81   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  22.41 +/- 4.31   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.07 +/- 3.13   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  22.31 +/- 2.41   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  31.85 +/- 4.33   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  33.70 +/- 5.22   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.56 +/- 2.80   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 = 84.4:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.37) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  18.99 +/- 2.97   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  23.33 +/- 3.36   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.65 +/- 2.81   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  28.76 +/- 3.64   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.243, support = 3.29, residual support = 18.1:
      O   HA1   GLY   16 - HN    GLN   17   3.21 +/- 0.02  91.312% * 63.1647% (0.22  10.0   3.26  16.50) =  95.179%  kept
          HA    VAL   18 - HN    GLN   17   4.81 +/- 0.15   8.234% * 35.4642% (0.65   1.0   3.86  50.10) =   4.819%  kept
          HA    VAL   70 - HN    GLN   17   8.28 +/- 0.91   0.406% *  0.2831% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    GLN   17  12.92 +/- 1.47   0.030% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.27 +/- 1.20   0.009% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.00 +/- 2.36   0.003% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.43 +/- 1.00   0.004% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.00 +/- 1.87   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.48 +/- 0.80   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   2.72 +/- 0.65 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.91, residual support = 22.2:
      O   HA    VAL   18 - HN    ILE   19   2.26 +/- 0.04  99.938% * 99.2246% (0.65  10.0   4.91  22.21) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.66 +/- 0.83   0.021% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.67 +/- 0.41   0.032% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.65 +/- 0.86   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.64 +/- 0.82   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.54 +/- 1.12   0.003% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.46 +/- 2.20   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  16.37 +/- 1.62   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.52 +/- 0.72   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.78, residual support = 175.9:
      O   HA    ILE   19 - HN    ILE   19   2.88 +/- 0.03  99.965% * 99.7071% (0.87  10.0   6.78 175.90) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.66 +/- 0.63   0.025% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.16 +/- 1.21   0.004% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  15.20 +/- 0.60   0.005% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  20.65 +/- 1.00   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  19.82 +/- 1.04   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.3:
      O   HA    ILE   19 - HN    ALA   20   2.29 +/- 0.04  99.975% * 99.7374% (0.97  10.0   5.05  25.26) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.56 +/- 0.60   0.021% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.45 +/- 0.50   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  17.68 +/- 1.40   0.001% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.07 +/- 1.64   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.33 +/- 1.11   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   2.93 +/- 0.01  99.913% * 99.9455% (0.97  10.0   3.14  15.22) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.69 +/- 0.81   0.087% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.64, residual support = 9.85:
        T HN    LYS+  74 - HN    CYS   21   2.94 +/- 0.42  99.640% * 99.2410% (0.76 10.00   3.64   9.85) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   8.61 +/- 0.80   0.250% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  17.90 +/- 1.87   0.004% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.11 +/- 0.58   0.091% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.81 +/- 1.03   0.004% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  16.94 +/- 1.57   0.005% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  16.79 +/- 1.20   0.005% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  22.74 +/- 1.97   0.001% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  24.70 +/- 1.66   0.000% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  33.76 +/- 2.16   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 14.6:
      O   HA    ALA   20 - HN    CYS   21   2.22 +/- 0.01  99.991% * 99.8901% (0.95  10.0   2.98  14.65) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  11.24 +/- 0.59   0.006% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.71 +/- 3.15   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.80 +/- 1.40   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.95 +/- 1.35   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  19.36 +/- 3.57   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   2.79 +/- 0.02  99.991% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.69 +/- 1.23   0.009% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  22.09 +/- 1.08   0.000% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.01 +/- 1.14   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.41:
          HA    PHE   59 - HN    ASP-  62   3.57 +/- 0.22  98.843% * 92.4913% (0.52   1.50   6.41) =  99.984%  kept
          HA    ILE   56 - HN    ASP-  62   7.90 +/- 0.70   1.033% *  1.2332% (0.52   0.02   0.02) =   0.014%
          HA    LEU  123 - HN    ASP-  62  12.76 +/- 2.05   0.081% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  14.05 +/- 1.29   0.034% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  19.05 +/- 0.96   0.005% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  24.31 +/- 0.86   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.79 +/- 2.04   0.004% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.4, residual support = 21.4:
          HN    THR   23 - HN    HIS   22   2.68 +/- 0.21  99.836% * 97.3252% (0.69   3.40  21.39) =  99.999%  kept
          HE3   TRP   27 - HN    HIS   22   8.31 +/- 0.58   0.130% *  0.8326% (1.00   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    HIS   22  10.75 +/- 0.53   0.028% *  0.1461% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  14.58 +/- 1.31   0.005% *  0.6059% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  20.95 +/- 2.20   0.001% *  0.8326% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.44 +/- 0.80   0.001% *  0.2576% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 5.18:
          HA    ALA   20 - HN    HIS   22   4.97 +/- 0.07  99.809% * 62.6587% (0.95   0.02   5.19) =  99.953%  kept
          HA    LEU   71 - HN    HIS   22  14.43 +/- 0.72   0.178% * 14.7469% (0.22   0.02   0.02) =   0.042%
          HA    LYS+ 102 - HN    HIS   22  22.35 +/- 1.61   0.014% * 22.5944% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.80 A violated in 20 structures by 1.17 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.81, residual support = 14.1:
        T HN    THR   26 - HN    THR   23   4.22 +/- 0.32  87.466% * 94.6528% (0.69 10.00   3.82  14.12) =  99.219%  kept
          HN    LEU   80 - HN    THR   23   6.29 +/- 0.91  12.442% *  5.2348% (0.34  1.00   2.23   8.52) =   0.781%  kept
          HN    ALA   34 - HN    THR   23  13.79 +/- 0.48   0.079% *  0.0344% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.98 +/- 2.01   0.014% *  0.0780% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.4, residual support = 21.4:
        T HN    HIS   22 - HN    THR   23   2.68 +/- 0.21  98.052% * 99.9047% (0.99 10.00   3.40  21.39) =  99.998%  kept
          HN    ASP-  76 - HN    THR   23   5.61 +/- 0.82   1.948% *  0.0953% (0.95  1.00   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.85, residual support = 34.7:
        T HN    GLU-  25 - HN    VAL   24   2.68 +/- 0.07  99.125% * 99.8571% (0.98 10.00   7.85  34.70) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   5.92 +/- 0.08   0.867% *  0.0419% (0.41  1.00   0.02  11.93) =   0.000%
          HN    ASP-  44 - HN    VAL   24  12.91 +/- 0.69   0.008% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.85, residual support = 34.7:
        T HN    VAL   24 - HN    GLU-  25   2.68 +/- 0.07 100.000% *100.0000% (1.00 10.00   7.85  34.70) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 28.1:
        T HN    THR   26 - HN    GLU-  25   2.91 +/- 0.04  99.999% * 99.9840% (0.97 10.00   5.45  28.06) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  19.07 +/- 0.97   0.001% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 5.43, residual support = 27.9:
        T HN    GLU-  25 - HN    THR   26   2.91 +/- 0.04  89.489% * 94.1120% (0.98 10.00   5.45  28.06) =  99.283%  kept
          HN    ASN   28 - HN    THR   26   4.18 +/- 0.14  10.500% *  5.7928% (0.41  1.00   2.94   0.02) =   0.717%  kept
          HN    ASP-  44 - HN    THR   26  13.09 +/- 0.58   0.011% *  0.0952% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.41, residual support = 22.1:
          HN    TRP   27 - HN    THR   26   2.60 +/- 0.08  99.989% * 98.4401% (0.99   4.41  22.06) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.94 +/- 0.54   0.004% *  0.2731% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.59 +/- 0.45   0.001% *  0.2913% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.05 +/- 0.30   0.003% *  0.1123% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  16.48 +/- 0.98   0.002% *  0.1690% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  20.37 +/- 1.51   0.001% *  0.3441% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  21.48 +/- 0.97   0.000% *  0.3093% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.38 +/- 1.79   0.001% *  0.0609% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.958, support = 3.81, residual support = 14.2:
          HN    THR   23 - HN    THR   26   4.22 +/- 0.32  94.674% * 69.6479% (0.97   3.82  14.12) =  98.449%  kept
          HE3   TRP   27 - HN    THR   26   7.41 +/- 0.17   3.575% * 28.9839% (0.49   3.16  22.06) =   1.547%  kept
          HD2   HIS   22 - HN    THR   26   8.42 +/- 0.89   1.672% *  0.1692% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  17.71 +/- 1.05   0.020% *  0.3570% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.45 +/- 0.66   0.044% *  0.0511% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.16 +/- 2.28   0.009% *  0.2289% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.55 +/- 0.75   0.004% *  0.3484% (0.92   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.09 +/- 2.06   0.002% *  0.2137% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.807, support = 4.0, residual support = 39.2:
          HN    THR   23 - HN    TRP   27   3.89 +/- 0.24  78.764% * 28.7865% (0.69   3.16   1.94) =  61.318%  kept
          HE3   TRP   27 - HN    TRP   27   4.90 +/- 0.15  20.287% * 70.5014% (1.00   5.34  98.32) =  38.681%  kept
          HN    LYS+  81 - HN    TRP   27  10.30 +/- 0.74   0.243% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  10.14 +/- 1.56   0.364% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.66 +/- 0.97   0.021% *  0.1923% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  13.17 +/- 1.95   0.080% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.68 +/- 1.75   0.203% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.38 +/- 1.81   0.002% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  16.40 +/- 0.92   0.016% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.66 +/- 0.80   0.004% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.57 +/- 1.63   0.013% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  22.64 +/- 1.57   0.002% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.41, residual support = 22.1:
        T HN    THR   26 - HN    TRP   27   2.60 +/- 0.08  99.996% * 99.8587% (0.97 10.00   4.41  22.06) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  20.37 +/- 1.51   0.001% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  15.14 +/- 0.95   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.34 +/- 1.14   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.21 +/- 0.43  99.272% * 91.0962% (0.12 10.00   6.75  32.51) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   8.15 +/- 3.06   0.700% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.70 +/- 1.58   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.77 +/- 0.92   0.013% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.34 +/- 1.51   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.95 +/- 1.58   0.011% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.94 +/- 1.42   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.86 +/- 1.93   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.986, support = 4.88, residual support = 46.6:
        T HN    ASN   28 - HN    TRP   27   2.71 +/- 0.12  91.272% * 94.8171% (0.99 10.00   4.90  46.86) =  99.504%  kept
          HN    GLU-  25 - HN    TRP   27   4.02 +/- 0.10   8.690% *  4.9648% (0.38  1.00   2.77   0.38) =   0.496%
          HN    ASP-  44 - HN    TRP   27  10.72 +/- 0.54   0.025% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.01 +/- 1.15   0.001% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.64 +/- 1.00   0.011% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.97 +/- 0.66   0.000% *  0.0466% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.67 +/- 1.59   0.001% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  25.85 +/- 1.44   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.99, residual support = 98.3:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.954% * 99.6416% (0.76  10.0   1.99  98.32) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27  10.48 +/- 1.33   0.045% *  0.1299% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  19.52 +/- 1.70   0.001% *  0.1001% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  22.02 +/- 2.29   0.000% *  0.1284% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.35, residual support = 98.3:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.998% * 99.8393% (0.45  10.0   1.35  98.32) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  17.91 +/- 1.08   0.002% *  0.1607% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 4.85, residual support = 31.4:
          HN    GLU-  29 - HN    ASN   28   2.63 +/- 0.11  89.020% * 66.6282% (0.98   4.96  32.79) =  94.249%  kept
          HN    GLN   30 - HN    ASN   28   3.74 +/- 0.11  10.967% * 32.9991% (0.80   3.01   8.35) =   5.751%  kept
          HN    ASP-  86 - HN    ASN   28  12.29 +/- 1.24   0.010% *  0.2376% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.67 +/- 0.58   0.001% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  20.05 +/- 1.67   0.001% *  0.0610% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  22.75 +/- 5.01   0.000% *  0.0371% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 46.9:
          HN    TRP   27 - HN    ASN   28   2.71 +/- 0.12  99.955% * 98.5934% (0.99   4.90  46.86) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  11.81 +/- 1.38   0.018% *  0.2462% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  13.50 +/- 2.12   0.009% *  0.1524% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.50 +/- 0.29   0.011% *  0.1012% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.94 +/- 0.31   0.004% *  0.2626% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.01 +/- 1.15   0.001% *  0.3103% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  16.55 +/- 1.74   0.002% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  21.05 +/- 0.84   0.000% *  0.2789% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.07, residual support = 46.9:
          HD1   TRP   27 - HN    ASN   28   3.84 +/- 0.27  97.096% * 98.0253% (0.41   5.07  46.86) =  99.978%  kept
          HE21  GLN   30 - HN    ASN   28   7.98 +/- 1.28   2.899% *  0.7192% (0.76   0.02   8.35) =   0.022%
          QD    PHE   59 - HN    ASN   28  21.40 +/- 1.66   0.004% *  0.3869% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  25.02 +/- 2.25   0.002% *  0.8687% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.48, residual support = 93.3:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.48  93.29) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  16.52 +/- 0.84   0.000% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 2.79:
          HA    GLU-  25 - HD21  ASN   28   4.49 +/- 0.08  99.033% * 96.5836% (1.00   1.27   2.79) =  99.991%  kept
          HA    SER   82 - HD21  ASN   28  10.49 +/- 1.77   0.859% *  0.8642% (0.57   0.02   0.02) =   0.008%
          HA    ILE   19 - HD21  ASN   28  14.27 +/- 0.57   0.099% *  1.4439% (0.95   0.02   0.02) =   0.001%
          HA    CYS   53 - HD21  ASN   28  21.86 +/- 1.54   0.008% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.25 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.68, residual support = 92.1:
      O   HA    ASN   28 - HN    ASN   28   2.80 +/- 0.03  92.089% * 86.1882% (0.84  10.0   5.70  93.29) =  98.689%  kept
          HA    THR   26 - HN    ASN   28   4.25 +/- 0.19   7.889% * 13.3673% (0.65   1.0   4.01   0.02) =   1.311%  kept
          HA    ALA   34 - HN    ASN   28  12.00 +/- 0.28   0.015% *  0.0996% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  14.74 +/- 2.49   0.007% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  24.14 +/- 1.53   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.77 +/- 1.14   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.99 +/- 1.59   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  30.64 +/- 3.88   0.000% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.902, support = 4.62, residual support = 92.1:
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  56.630% * 90.4766% (0.97  10.0   4.79  98.32) =  92.726%  kept
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.03  43.332% *  9.2758% (0.10  10.0   2.46  12.95) =   7.274%  kept
          HA    VAL  107 - HN    ALA   91  11.66 +/- 1.82   0.015% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.51 +/- 2.19   0.011% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.87 +/- 1.12   0.000% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.02 +/- 2.17   0.009% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.41 +/- 0.85   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.62 +/- 1.08   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.24 +/- 2.13   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.43 +/- 1.95   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.41, residual support = 22.1:
          HB    THR   26 - HN    TRP   27   3.30 +/- 0.24  99.904% * 98.9951% (0.99   4.41  22.06) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.61 +/- 0.62   0.036% *  0.0793% (0.18   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.51 +/- 1.42   0.051% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  22.73 +/- 0.80   0.001% *  0.4370% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  19.36 +/- 2.43   0.003% *  0.0406% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  21.30 +/- 1.89   0.002% *  0.0540% (0.12   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  20.59 +/- 1.57   0.002% *  0.0555% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  28.05 +/- 1.43   0.000% *  0.3288% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  23.88 +/- 1.11 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.27 A violated in 20 structures by 19.61 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.197, support = 4.28, residual support = 34.6:
      O   HB    THR   26 - HN    THR   26   2.02 +/- 0.11  96.956% * 21.3631% (0.15  10.0   4.16  35.33) =  89.684%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   3.039% * 78.3875% (0.57  10.0   5.26  28.06) =  10.316%  kept
          HA    SER   82 - HN    THR   26  13.49 +/- 0.65   0.001% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.73 +/- 0.53   0.003% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.55 +/- 0.89   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.68 +/- 1.59   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.648, support = 3.01, residual support = 6.27:
          HB    THR   23 - HN    GLU-  25   3.04 +/- 0.32  85.899% * 29.6540% (0.53   2.81   6.27) =  73.201%  kept
          HA    THR   23 - HN    GLU-  25   4.23 +/- 0.18  13.400% * 69.5796% (0.98   3.54   6.27) =  26.793%  kept
          HA    LEU   80 - HN    GLU-  25   7.16 +/- 0.81   0.687% *  0.2755% (0.69   0.02   0.02) =   0.005%
          HA    ASP-  78 - HN    GLU-  25  13.35 +/- 0.57   0.014% *  0.3794% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  24.37 +/- 0.95   0.000% *  0.1115% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.88, residual support = 127.0:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.02  99.975% * 99.7793% (0.87  10.0   5.88 126.99) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  11.41 +/- 0.66   0.019% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  14.19 +/- 0.47   0.005% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  23.10 +/- 1.46   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.718, support = 5.11, residual support = 25.3:
      O   HA    THR   23 - HN    VAL   24   2.29 +/- 0.12  81.674% * 92.1924% (0.73  10.0   5.10  25.32) =  98.302%  kept
          HB    THR   23 - HN    VAL   24   3.11 +/- 0.33  17.065% *  7.6196% (0.22   1.0   5.39  25.32) =   1.698%  kept
          HA    LEU   80 - HN    VAL   24   4.81 +/- 0.73   1.248% *  0.0433% (0.34   1.0   0.02  10.96) =   0.001%
          HA    ASP-  78 - HN    VAL   24  10.74 +/- 0.60   0.008% *  0.1225% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  11.93 +/- 0.73   0.004% *  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 = 0.721, support = 3.31, residual support = 19.2:
      O   HA    THR   23 - HN    THR   23   2.91 +/- 0.04  79.571% * 37.7551% (0.61  10.0   3.04  19.23) =  70.748%  kept
      O   HB    THR   23 - HN    THR   23   3.67 +/- 0.09  19.999% * 62.1094% (1.00  10.0   3.95  19.23) =  29.252%  kept
          HA    LEU   80 - HN    THR   23   7.16 +/- 0.50   0.402% *  0.0589% (0.95   1.0   0.02   8.52) =   0.001%
          HA    ASP-  78 - HN    THR   23  11.28 +/- 1.02   0.027% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.67 +/- 1.15   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.727, support = 0.02, residual support = 0.02:
          HA    ALA   20 - HN    THR   23   6.85 +/- 0.11  99.116% * 46.5057% (0.73   0.02   0.02) =  98.985%  kept
          HA    LEU   71 - HN    THR   23  15.14 +/- 0.67   0.884% * 53.4943% (0.84   0.02   0.02) =   1.015%  kept
    Distance limit 3.84 A violated in 20 structures by 3.00 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   3.56 +/- 0.28  99.939% * 98.3538% (0.99   2.25  14.12) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.51 +/- 0.93   0.059% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  21.73 +/- 1.01   0.002% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  28.05 +/- 1.55   0.000% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.10 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.48, residual support = 93.3:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.917% * 99.7763% (0.98  10.0   2.48  93.29) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   7.29 +/- 4.42   0.083% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.82 +/- 0.92   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  21.74 +/- 0.83   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.78 +/- 1.00   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.96, residual support = 32.8:
        T HN    ASN   28 - HN    GLU-  29   2.63 +/- 0.11  99.173% * 99.7796% (0.76 10.00   4.96  32.79) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   5.88 +/- 0.21   0.820% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  13.17 +/- 0.61   0.007% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.89 +/- 0.77   0.000% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.13, residual support = 52.1:
        T HN    LEU   31 - HN    GLN   30   2.48 +/- 0.08  99.987% * 98.4622% (0.73 10.00   7.13  52.11) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  25.67 +/- 1.79   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  17.04 +/- 0.55   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.15 +/- 1.41   0.010% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.42 +/- 0.75   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.59 +/- 1.70   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.67 +/- 1.82   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.69 +/- 0.67   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.42 +/- 1.16   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.65 +/- 1.16   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 45.8:
        T HN    LEU   31 - HN    GLN   32   2.60 +/- 0.11  99.938% * 99.0995% (0.98 10.00   5.86  45.76) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.97 +/- 0.16   0.061% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.43 +/- 1.49   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  18.35 +/- 0.86   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.57 +/- 0.74   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.57 +/- 1.47   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.2:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.16) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.46 +/- 2.64   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  28.81 +/- 2.29   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  27.24 +/- 4.59   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  35.17 +/- 3.00   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.2:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.989% * 98.9152% (0.83  10.0 10.00   1.00  44.16) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90  11.24 +/- 2.80   0.009% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  15.20 +/- 3.89   0.001% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.59 +/- 1.66   0.001% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  19.91 +/- 1.48   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  17.96 +/- 2.08   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.46 +/- 2.64   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  28.81 +/- 2.29   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  22.66 +/- 2.41   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  19.49 +/- 2.18   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  28.14 +/- 0.72   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  23.85 +/- 2.08   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.88 +/- 1.92   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.59 +/- 1.18   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  24.96 +/- 2.61   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 52.1:
          HN    GLU-  36 - HN    ASN   35   2.34 +/- 0.03  99.315% * 98.7867% (0.90   5.88  52.07) =  99.998%  kept
          HN    THR   39 - HN    ASN   35   5.45 +/- 0.26   0.656% *  0.3618% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    ASN   35  10.66 +/- 2.13   0.024% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.68 +/- 0.27   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  18.15 +/- 1.93   0.001% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  25.11 +/- 0.71   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 55.5:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.50) = 100.000%  kept
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.5:
      O   HA    ASN   35 - HN    ASN   35   2.84 +/- 0.01  99.721% * 99.5029% (0.98  10.0   4.55  55.50) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   9.45 +/- 1.31   0.114% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.50 +/- 0.60   0.155% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.81 +/- 1.50   0.006% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.98 +/- 2.85   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  24.90 +/- 5.79   0.000% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.83 +/- 1.42   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  26.22 +/- 1.25   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  30.07 +/- 1.77   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 157.1:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.989% * 99.6989% (0.90  10.0   2.43 157.06) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   8.40 +/- 1.00   0.010% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  17.58 +/- 2.38   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.34 +/- 2.79   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.43, residual support = 157.1:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.8775% (0.92  10.0 10.00   2.43 157.06) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.35 +/- 1.79   0.000% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  20.94 +/- 1.99   0.000% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.227, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.84 +/- 0.57   6.452% *  6.4793% (0.25   0.02   0.02) =  44.225%  kept
          HA    VAL   42 - HN    LYS+  99   7.43 +/- 0.58  90.428% *  0.4257% (0.02   0.02   0.02) =  40.724%  kept
          HA    GLN   90 - HN    GLN   30  20.08 +/- 1.40   0.270% * 25.0767% (0.97   0.02   0.02) =   7.157%  kept
          HA    ALA  110 - HN    GLN   30  24.63 +/- 2.32   0.088% * 25.9267% (1.00   0.02   0.02) =   2.400%  kept
          HA    VAL  107 - HN    GLN   30  21.48 +/- 0.88   0.178% *  8.8635% (0.34   0.02   0.02) =   1.671%  kept
          HA    VAL  107 - HN    LYS+  99  14.38 +/- 0.51   1.855% *  0.5823% (0.02   0.02   0.02) =   1.143%  kept
          HA    PHE   55 - HN    GLN   30  27.21 +/- 2.25   0.048% * 21.7040% (0.84   0.02   0.02) =   1.107%  kept
          HA    ALA   91 - HN    GLN   30  22.53 +/- 0.76   0.126% *  5.7850% (0.22   0.02   0.02) =   0.768%  kept
          HA    ALA  110 - HN    LYS+  99  20.63 +/- 1.05   0.215% *  1.7034% (0.07   0.02   0.02) =   0.387%
          HA    GLN   90 - HN    LYS+  99  21.55 +/- 0.75   0.167% *  1.6475% (0.06   0.02   0.02) =   0.291%
          HA    PHE   55 - HN    LYS+  99  26.22 +/- 1.52   0.051% *  1.4259% (0.05   0.02   0.02) =   0.077%
          HA    ALA   91 - HN    LYS+  99  22.57 +/- 0.61   0.124% *  0.3801% (0.01   0.02   0.02) =   0.050%
    Distance limit 4.17 A violated in 20 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.814, support = 4.68, residual support = 39.9:
          HN    ALA   34 - HN    LYS+  33   2.46 +/- 0.05  65.334% * 79.2810% (0.90   4.61  43.71) =  88.212%  kept
          HN    GLN   32 - HN    LYS+  33   2.74 +/- 0.07  34.665% * 19.9683% (0.20   5.26  11.35) =  11.788%  kept
          HN    LEU   80 - HN    LYS+  33  17.15 +/- 0.81   0.001% *  0.3704% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.18 +/- 1.50   0.000% *  0.3804% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 55.5:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.50) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  21.67 +/- 1.14   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.13 +/- 0.97   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.79 +/- 1.03   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.93 +/- 1.66   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.75 +/- 1.90   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.88, residual support = 52.1:
        T HN    ASN   35 - HN    GLU-  36   2.34 +/- 0.03  99.993% * 99.7986% (0.99 10.00   5.88  52.07) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.40 +/- 1.54   0.006% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  19.26 +/- 3.42   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.319, support = 3.67, residual support = 16.2:
          HN    GLU-  36 - HN    SER   37   2.46 +/- 0.07  87.264% * 39.6608% (0.25   3.97  19.02) =  82.554%  kept
          HN    THR   39 - HN    SER   37   3.41 +/- 0.13  12.722% * 57.4891% (0.65   2.22   2.94) =  17.446%  kept
          HN    LYS+ 102 - HN    SER   37  11.90 +/- 2.05   0.012% *  0.1084% (0.14   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    SER   37  15.40 +/- 0.28   0.001% *  0.7936% (0.99   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  19.80 +/- 3.16   0.000% *  0.3005% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  21.06 +/- 1.80   0.000% *  0.4857% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.25 +/- 1.13   0.000% *  0.5500% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  27.60 +/- 0.70   0.000% *  0.6119% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.933, support = 5.19, residual support = 22.1:
          HN    THR   39 - HN    LYS+  38   2.70 +/- 0.10  84.752% * 83.2254% (0.95   5.31  22.82) =  96.708%  kept
          HN    GLU-  36 - HN    LYS+  38   3.61 +/- 0.05  15.200% * 15.7970% (0.57   1.68   0.63) =   3.292%  kept
          HN    LYS+ 102 - HN    LYS+  38  10.44 +/- 2.04   0.045% *  0.1244% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.29 +/- 0.27   0.002% *  0.2532% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  20.95 +/- 1.93   0.000% *  0.3059% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  19.33 +/- 3.40   0.001% *  0.0448% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.30 +/- 1.05   0.000% *  0.1130% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.36 +/- 0.73   0.000% *  0.1362% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 51.3:
      O   HA    ASN   35 - HN    GLU-  36   3.57 +/- 0.01  88.256% * 83.8938% (0.38  10.0   4.70  52.07) =  97.784%  kept
          HA    SER   37 - HN    GLU-  36   5.03 +/- 0.06  11.337% * 14.7947% (0.38   1.0   3.53  19.02) =   2.215%  kept
          HA    LEU   40 - HN    GLU-  36   9.80 +/- 0.44   0.217% *  0.2235% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.92 +/- 1.28   0.143% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.83 +/- 1.63   0.023% *  0.2115% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  17.12 +/- 3.11   0.017% *  0.2115% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.69 +/- 0.94   0.005% *  0.0839% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  25.89 +/- 6.03   0.001% *  0.1176% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.47 +/- 1.31   0.000% *  0.2157% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.77 +/- 0.59   0.001% *  0.1002% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  29.43 +/- 1.40   0.000% *  0.0919% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.8:
      O   HA    GLU-  36 - HN    GLU-  36   2.83 +/- 0.02  99.999% * 99.7892% (0.69  10.0   6.06  86.75) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  22.47 +/- 0.84   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.08 +/- 0.68   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  27.04 +/- 6.65   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.08, residual support = 26.3:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.790% * 99.4774% (0.97  10.0   4.08  26.26) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.47 +/- 0.25   0.170% *  0.0542% (0.53   1.0   0.02   0.12) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.61 +/- 1.76   0.015% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.87 +/- 3.16   0.011% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.26 +/- 0.23   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.55 +/- 1.04   0.002% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.80 +/- 0.51   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.48 +/- 1.31   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.0:
      O   HA    GLU-  36 - HN    SER   37   3.46 +/- 0.01  99.997% * 99.6452% (0.34  10.0   4.29  19.02) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.69 +/- 0.88   0.002% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  25.17 +/- 0.66   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.79, residual support = 13.4:
      O   HA    SER   37 - HN    LYS+  38   3.42 +/- 0.02  98.956% * 99.2058% (0.73  10.0   4.79  13.39) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.42 +/- 0.18   0.957% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  14.43 +/- 1.75   0.025% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  16.99 +/- 3.10   0.016% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.78 +/- 0.25   0.037% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.03 +/- 0.97   0.005% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  23.41 +/- 6.50   0.003% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.91 +/- 0.43   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  26.53 +/- 1.21   0.000% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  28.48 +/- 1.51   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 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   4.21 +/- 0.04  99.981% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  24.22 +/- 7.23   0.008% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  20.48 +/- 0.82   0.008% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  25.50 +/- 0.72   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.05 +/- 1.53   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 38.4:
      O   HA    THR   39 - HN    THR   39   2.89 +/- 0.02  99.977% * 99.4345% (1.00  10.0   3.75  38.36) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.56 +/- 1.21   0.017% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.92 +/- 0.29   0.003% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.54 +/- 3.33   0.002% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.69 +/- 1.43   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.18 +/- 1.07   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.06 +/- 1.18   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  24.98 +/- 0.58   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.09 +/- 1.74   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 23.8:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.03  99.985% * 99.4345% (1.00  10.0   4.03  23.76) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.42 +/- 0.90   0.013% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.64 +/- 0.35   0.001% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.82 +/- 1.42   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.92 +/- 2.77   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.37 +/- 1.18   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.00 +/- 1.36   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.36 +/- 0.73   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.77 +/- 1.55   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 103.9:
      O   HA    LEU   40 - HN    LEU   40   2.80 +/- 0.02  94.604% * 99.4414% (1.00  10.0   5.21 103.90) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.02 +/- 1.34   5.081% *  0.0248% (0.25   1.0   0.02  12.23) =   0.001%
          HA    SER   37 - HN    LEU   40   8.35 +/- 0.15   0.134% *  0.0373% (0.38   1.0   0.02   0.12) =   0.000%
          HA    ASN   35 - HN    LEU   40   8.54 +/- 0.40   0.125% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.87 +/- 1.53   0.025% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  16.59 +/- 6.77   0.018% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.27 +/- 2.23   0.004% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.71 +/- 0.89   0.008% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  20.92 +/- 1.16   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.24 +/- 0.48   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.85 +/- 1.64   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 74.4:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  99.991% * 99.4222% (0.22  10.0   4.51  74.43) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.36 +/- 0.20   0.007% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.45 +/- 0.65   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.68 +/- 1.15   0.001% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 19.8:
      O   HA    LEU   40 - HN    VAL   41   2.23 +/- 0.04  89.316% * 99.4414% (1.00  10.0   5.01  19.76) =  99.997%  kept
          HA    LYS+  99 - HN    VAL   41   3.66 +/- 1.12  10.633% *  0.0248% (0.25   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    VAL   41   8.27 +/- 0.44   0.037% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.73 +/- 0.27   0.007% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.14 +/- 1.18   0.003% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  17.55 +/- 5.71   0.001% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  13.95 +/- 0.62   0.002% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.55 +/- 1.93   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.85 +/- 1.20   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.90 +/- 0.22   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.93 +/- 1.74   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.16, residual support = 18.3:
        T HN    LEU   98 - HN    VAL   41   3.69 +/- 0.94 100.000% *100.0000% (0.97 10.00   4.16  18.27) = 100.000%  kept
    Distance limit 4.05 A violated in 2 structures by 0.22 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.64, residual support = 4.99:
          HA    PHE   72 - HN    VAL   42   2.87 +/- 0.86 100.000% *100.0000% (0.22   1.64   4.99) = 100.000%  kept
    Distance limit 4.09 A violated in 1 structures by 0.11 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.2, residual support = 24.5:
      O   HA    VAL   41 - HN    VAL   42   2.20 +/- 0.02  99.994% * 99.4222% (0.22  10.0   5.20  24.50) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.26 +/- 0.24   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.32 +/- 0.75   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.03 +/- 0.80   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 87.8:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.918% * 99.6568% (0.87  10.0   5.45  87.78) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.31 +/- 0.54   0.056% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.91 +/- 0.42   0.014% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.51 +/- 0.31   0.007% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.62 +/- 2.01   0.003% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  18.85 +/- 1.53   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.90 +/- 1.80   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.0, residual support = 36.9:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.02  99.990% * 99.7026% (1.00  10.0   5.00  36.93) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.74 +/- 0.21   0.004% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  12.94 +/- 0.52   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  15.00 +/- 1.13   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.38 +/- 0.48   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.76 +/- 1.85   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.10 +/- 1.60   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.76, residual support = 6.12:
          HA    LYS+  74 - HN    ASP-  44   2.93 +/- 0.37  99.675% * 96.0150% (0.28   2.76   6.12) =  99.998%  kept
          HA    VAL   41 - HN    ASP-  44   8.29 +/- 0.32   0.285% *  0.4955% (0.20   0.02   0.02) =   0.001%
          HA    MET   92 - HN    ASP-  44  11.98 +/- 0.99   0.034% *  2.1720% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  16.72 +/- 3.05   0.005% *  1.3174% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.2:
      O   HA    VAL   43 - HN    ASP-  44   2.20 +/- 0.03  99.969% * 99.8182% (0.87  10.0   3.71  15.23) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.76 +/- 0.64   0.015% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  10.00 +/- 1.17   0.015% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.53 +/- 0.66   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.77, residual support = 37.8:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.919% * 98.9185% (0.49  10.0   3.77  37.79) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.30 +/- 0.88   0.034% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.05 +/- 1.16   0.023% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.50 +/- 0.54   0.007% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.57 +/- 0.73   0.007% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  14.34 +/- 0.94   0.008% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.53 +/- 0.96   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.47 +/- 1.18   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  26.46 +/- 1.55   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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   3.01 +/- 0.50  99.933% * 99.8815% (0.84 10.00   3.30  27.15) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.97 +/- 0.56   0.067% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 80.5:
          QD    PHE   45 - HN    PHE   45   1.99 +/- 0.40  99.997% * 98.5418% (0.53   5.62  80.46) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.64 +/- 2.34   0.002% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  18.07 +/- 2.07   0.000% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  17.90 +/- 1.26   0.001% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 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   3.47 +/- 0.49 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 80.5:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.01  99.957% * 99.9134% (0.99  10.0   4.01  80.46) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.12 +/- 0.21   0.020% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.24 +/- 0.67   0.020% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.47 +/- 2.14   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.0:
      O   HA    ASP-  44 - HN    PHE   45   2.30 +/- 0.02  99.902% * 99.3093% (1.00  10.0   4.04  19.03) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.69 +/- 0.86   0.043% *  0.0984% (0.99   1.0   0.02   8.44) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.50 +/- 1.85   0.041% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  12.41 +/- 0.90   0.004% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.24 +/- 1.35   0.003% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.44 +/- 0.68   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.59 +/- 0.42   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.17 +/- 1.14   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.67 +/- 0.29   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.30 +/- 1.04   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  30.42 +/- 1.52   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.40 +/- 1.27   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.46 +/- 0.13  99.628% * 94.4415% (0.22   4.42  12.49) =  99.998%  kept
          HE22  GLN   90 - HN    THR   46  13.34 +/- 2.19   0.283% *  0.2963% (0.15   0.02   0.02) =   0.001%
          HD2   HIS  122 - HN    THR   46  17.27 +/- 1.81   0.037% *  1.8166% (0.95   0.02   0.02) =   0.001%
          HE22  GLN  116 - HN    THR   46  20.98 +/- 2.36   0.019% *  1.8533% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  17.78 +/- 1.19   0.028% *  1.1648% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.36 +/- 0.72   0.005% *  0.4275% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.09 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.92:
          HA    ASP-  76 - HN    THR   46   3.61 +/- 0.81  99.989% * 98.8092% (0.53   2.74   3.92) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  18.87 +/- 1.39   0.011% *  1.1908% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 1 structures by 0.21 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  99.947% * 99.9017% (0.76  10.0   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.48 +/- 0.66   0.045% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  11.54 +/- 0.88   0.007% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.99 +/- 0.38   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.94 +/- 0.02  99.440% * 99.4016% (0.57  10.0   3.25  34.51) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   9.03 +/- 2.12   0.482% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.38 +/- 0.22   0.018% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.45 +/- 2.96   0.043% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.95 +/- 1.24   0.011% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.26 +/- 1.16   0.006% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.96 +/- 0.68   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.62, residual support = 12.0:
          HN    THR   77 - HN    THR   46   3.54 +/- 0.67 100.000% *100.0000% (1.00   3.62  12.00) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.34, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.02  66.656% * 96.8065% (0.90  10.0   2.36  10.97) =  98.521%  kept
          HA    CYS   50 - HN    ALA   47   3.75 +/- 1.33  32.953% *  2.9393% (0.73   1.0   0.75   7.07) =   1.479%  kept
          HA    TRP   49 - HN    ALA   47   6.99 +/- 0.34   0.349% *  0.0568% (0.53   1.0   0.02  15.93) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.83 +/- 1.64   0.021% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  13.05 +/- 2.12   0.015% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  14.35 +/- 1.09   0.005% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.54 +/- 0.11  99.718% * 99.4016% (0.57  10.0   3.07  12.66) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   9.78 +/- 2.15   0.224% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.28 +/- 3.13   0.038% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.96 +/- 0.81   0.017% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.84 +/- 0.26   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  16.95 +/- 1.42   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.82 +/- 0.67   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 4.29, residual support = 14.8:
        T HN    TRP   49 - HN    SER   48   2.65 +/- 0.15  91.267% * 94.4859% (0.84 10.00   4.30  14.85) =  99.452%  kept
          HN    CYS   50 - HN    SER   48   4.06 +/- 0.61   8.725% *  5.4453% (0.61  1.00   1.59   0.02) =   0.548%  kept
          HN    VAL   83 - HN    SER   48  13.21 +/- 1.21   0.007% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  18.62 +/- 1.71   0.001% *  0.0465% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.19, residual support = 6.27:
      O   HA    ALA   47 - HN    SER   48   2.34 +/- 0.07  98.677% * 99.6576% (0.90  10.0   2.19   6.27) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.20 +/- 0.14   0.831% *  0.0585% (0.53   1.0   0.02  14.85) =   0.000%
          HA    CYS   50 - HN    SER   48   5.84 +/- 0.53   0.486% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.81 +/- 2.15   0.003% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.77 +/- 2.70   0.002% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  15.08 +/- 1.86   0.002% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.59, residual support = 74.7:
          HD1   TRP   49 - HN    TRP   49   2.42 +/- 0.73  99.943% * 98.1745% (0.92   4.59  74.65) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.66 +/- 1.95   0.016% *  0.2999% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  14.28 +/- 3.17   0.009% *  0.3713% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.20 +/- 0.78   0.026% *  0.1156% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.39 +/- 1.96   0.003% *  0.3185% (0.69   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.83 +/- 1.27   0.000% *  0.4545% (0.98   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  18.85 +/- 1.13   0.001% *  0.0918% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.73 +/- 1.16   0.000% *  0.1740% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.3, residual support = 14.9:
        T HN    SER   48 - HN    TRP   49   2.65 +/- 0.15 100.000% *100.0000% (0.84 10.00   4.30  14.85) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 1.88, residual support = 6.81:
      O   HA    CYS   50 - HN    CYS   50   2.33 +/- 0.24  88.463% * 50.4175% (0.98  10.0   1.81   7.22) =  90.925%  kept
      O   HA    TRP   49 - HN    CYS   50   3.53 +/- 0.12   9.008% * 49.4112% (0.87  10.0   2.64   2.72) =   9.073%  kept
          HA    ALA   47 - HN    CYS   50   4.39 +/- 0.68   2.520% *  0.0322% (0.57   1.0   0.02   7.07) =   0.002%
          HA1   GLY  109 - HN    CYS   50  14.62 +/- 2.76   0.007% *  0.0550% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.37 +/- 2.03   0.002% *  0.0255% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  17.17 +/- 1.78   0.001% *  0.0391% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.58 +/- 1.15   0.000% *  0.0194% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 4.2, residual support = 73.0:
      O   HA    TRP   49 - HN    TRP   49   2.88 +/- 0.03  82.232% * 79.2340% (0.87  10.0   4.24  74.65) =  97.508%  kept
          HA    ALA   47 - HN    TRP   49   4.04 +/- 0.31  11.980% *  7.7235% (0.57   1.0   2.99  15.93) =   1.385%  kept
          HA    CYS   50 - HN    TRP   49   4.55 +/- 0.29   5.773% * 12.8195% (0.98   1.0   2.86   2.72) =   1.107%  kept
          HA1   GLY  109 - HN    TRP   49  15.86 +/- 2.78   0.008% *  0.0882% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.49 +/- 2.10   0.005% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  17.05 +/- 1.67   0.002% *  0.0627% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.03 +/- 1.50   0.000% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.05, residual support = 74.7:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.975% * 99.6863% (0.92  10.0   2.05  74.65) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.94 +/- 2.33   0.020% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  16.48 +/- 3.24   0.003% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  18.12 +/- 2.32   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.26 +/- 1.30   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.68 +/- 1.97   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.39, residual support = 1.39:
      O   HA    CYS   50 - HN    GLY   51   3.09 +/- 0.29  80.266% * 99.4349% (0.98  10.0   1.39   1.39) =  99.969%  kept
          HA    TRP   49 - HN    GLY   51   4.48 +/- 1.10  18.994% *  0.1265% (0.87   1.0   0.02   0.02) =   0.030%
          HA    ALA   47 - HN    GLY   51   6.99 +/- 0.79   0.705% *  0.0826% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  14.48 +/- 3.08   0.024% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.86 +/- 2.19   0.009% *  0.0654% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  19.31 +/- 1.81   0.002% *  0.1002% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  29.08 +/- 1.41   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 2.75, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.37 +/- 0.25  99.961% * 99.5416% (0.92  10.0   2.75  10.15) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.47 +/- 1.08   0.019% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.30 +/- 1.98   0.014% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.99 +/- 1.90   0.002% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.69 +/- 0.84   0.002% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.23 +/- 1.37   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.01 +/- 2.38   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.59 +/- 1.43   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.47 +/- 1.07   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  37.61 +/- 2.28   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.17, residual support = 31.9:
        T HN    ARG+  54 - HN    CYS   53   2.58 +/- 0.14  99.995% * 99.1159% (0.98 10.00   6.17  31.87) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.60 +/- 0.86   0.005% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.13 +/- 1.49   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.32 +/- 1.28   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.17, residual support = 31.9:
        T HN    CYS   53 - HN    ARG+  54   2.58 +/- 0.14  99.993% * 99.6035% (0.85 10.00   6.17  31.87) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.60 +/- 0.86   0.005% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.74 +/- 2.02   0.001% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.82 +/- 1.97   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  21.38 +/- 1.30   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.11 +/- 1.45   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  21.31 +/- 0.88   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  23.28 +/- 0.88   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.283, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.25 +/- 0.74  78.648% *  4.3392% (0.10   0.02   0.02) =  54.417%  kept
          HN    TRP   87 - HN    ARG+  54  19.03 +/- 1.79   4.498% * 29.7440% (0.69   0.02   0.02) =  21.333%  kept
          HD21  ASN   69 - HN    ASP-  62  15.64 +/- 1.50  12.239% *  5.8573% (0.14   0.02   0.02) =  11.430%  kept
          HN    GLN   17 - HN    ARG+  54  20.49 +/- 1.28   2.403% * 23.1904% (0.54   0.02   0.02) =   8.886%  kept
          HD21  ASN   69 - HN    ARG+  54  26.51 +/- 1.11   0.480% * 31.3037% (0.72   0.02   0.02) =   2.396%  kept
          HN    TRP   87 - HN    ASP-  62  21.76 +/- 1.56   1.733% *  5.5654% (0.13   0.02   0.02) =   1.538%  kept
    Distance limit 3.77 A violated in 20 structures by 7.03 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 18.9:
          HN    PHE   55 - HN    ILE   56   2.60 +/- 0.17  99.747% * 99.1164% (0.95   3.94  18.88) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.48 +/- 0.67   0.048% *  0.1643% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.20 +/- 0.20   0.109% *  0.0200% (0.04   0.02   5.19) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   9.83 +/- 4.51   0.094% *  0.0087% (0.02   0.02   2.03) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.79 +/- 1.85   0.001% *  0.4618% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.45 +/- 1.10   0.000% *  0.1998% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.20 +/- 2.59   0.001% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.70 +/- 1.21   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.18, residual support = 33.4:
          HN    ALA   57 - HN    ILE   56   2.80 +/- 0.87  99.890% * 99.0138% (0.87   5.18  33.44) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  13.28 +/- 1.93   0.030% *  0.3529% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  13.71 +/- 1.60   0.044% *  0.1812% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  17.35 +/- 2.16   0.012% *  0.3952% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.80 +/- 1.17   0.019% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.30 +/- 2.18   0.002% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  25.41 +/- 2.89   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  22.79 +/- 2.81   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 2 structures by 0.27 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.04, residual support = 123.6:
      O   HA    ILE   56 - HN    ILE   56   2.89 +/- 0.11  99.282% * 95.8570% (0.15  10.0   5.04 123.58) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.40 +/- 0.58   0.405% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   8.48 +/- 0.87   0.195% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  16.36 +/- 1.21   0.003% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.42 +/- 1.61   0.021% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.12 +/- 2.16   0.003% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  10.76 +/- 3.42   0.072% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  21.73 +/- 1.03   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  17.05 +/- 1.37   0.003% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  14.58 +/- 4.19   0.011% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  23.03 +/- 1.23   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  28.00 +/- 1.48   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  30.53 +/- 1.40   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  20.27 +/- 2.04   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  20.17 +/- 4.38   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  19.50 +/- 1.43   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  22.00 +/- 1.87   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  26.01 +/- 2.42   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.19 +/- 2.16   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  25.47 +/- 4.25   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 33.4:
          HN    ILE   56 - HN    ALA   57   2.80 +/- 0.87  98.969% * 98.5684% (0.98   5.18  33.44) =  99.996%  kept
          HN    LEU   63 - HN    ALA   57   8.56 +/- 0.75   0.680% *  0.3584% (0.92   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   57  10.38 +/- 2.56   0.345% *  0.3482% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  19.99 +/- 1.15   0.002% *  0.3482% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.30 +/- 2.18   0.002% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.67 +/- 1.01   0.001% *  0.1198% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.93 +/- 1.24   0.000% *  0.1890% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.25 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.18, residual support = 20.3:
        T HN    PHE   60 - HN    PHE   59   2.69 +/- 0.19  99.831% * 97.7864% (0.47 10.00   4.18  20.26) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.34 +/- 1.17   0.043% *  0.6051% (0.29 10.00   0.02  11.02) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.48 +/- 0.66   0.125% *  0.0282% (0.14  1.00   0.02   0.59) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.58 +/- 0.86   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.26, support = 4.78, residual support = 56.7:
      O   HA    PHE   59 - HN    PHE   59   2.79 +/- 0.06  74.297% * 86.5230% (0.24  10.0   4.97  58.51) =  95.278%  kept
          HA    ILE   56 - HN    PHE   59   3.56 +/- 0.69  25.676% * 12.4090% (0.69   1.0   0.99  20.73) =   4.722%  kept
          HA    ASP- 113 - HN    PHE   59  11.30 +/- 1.08   0.021% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.99 +/- 0.88   0.005% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  21.23 +/- 1.31   0.000% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  20.19 +/- 1.14   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  26.93 +/- 1.11   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.48, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.71 +/- 0.20  99.912% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.27 +/- 1.33   0.057% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  11.36 +/- 1.29   0.026% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.79 +/- 1.18   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.67 +/- 1.14   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  21.23 +/- 1.60   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.41 +/- 1.76   0.001% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  24.37 +/- 1.55   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.90 +/- 1.82   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.987, support = 4.65, residual support = 33.4:
      O   HA    ILE   56 - HN    ALA   57   3.06 +/- 0.35  93.951% * 90.8866% (0.99  10.0   4.64  33.44) =  99.391%  kept
          HA    PRO   58 - HN    ALA   57   4.91 +/- 0.25   6.012% *  8.6966% (0.34   1.0   5.56  24.61) =   0.609%  kept
          HA    ASP- 113 - HN    ALA   57  12.63 +/- 0.96   0.027% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  16.93 +/- 1.33   0.006% *  0.0915% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.75 +/- 1.51   0.001% *  0.0822% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.58 +/- 1.23   0.002% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.74 +/- 1.53   0.001% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.98 +/- 1.46   0.000% *  0.0899% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.74 +/- 1.54   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.19, residual support = 42.0:
        T HN    PHE   60 - HN    ALA   61   2.68 +/- 0.13  99.967% * 97.7864% (0.61 10.00   5.19  41.96) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.54 +/- 1.10   0.013% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.48 +/- 0.96   0.003% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.59 +/- 0.94   0.017% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.549, support = 4.57, residual support = 36.8:
          QD    PHE   60 - HN    ALA   61   3.37 +/- 0.70  77.126% * 49.2136% (0.57   4.77  41.96) =  87.536%  kept
          HN    PHE   59 - HN    ALA   61   4.39 +/- 0.28  21.043% * 24.2998% (0.41   3.24   0.38) =  11.793%  kept
          QE    PHE   59 - HN    ALA   61   7.29 +/- 0.97   1.109% * 26.0382% (0.80   1.78   0.38) =   0.666%  kept
          HN    LYS+  66 - HN    ALA   61   7.62 +/- 0.26   0.721% *  0.3574% (0.98   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   61  21.39 +/- 1.14   0.001% *  0.0909% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 1.0, residual support = 1.0:
          HA    PRO   58 - HN    ALA   61   3.52 +/- 0.35  96.939% * 89.5576% (0.97   1.00   1.00) =  99.973%  kept
          HA    ILE   56 - HN    ALA   61   7.14 +/- 0.80   2.203% *  0.7595% (0.41   0.02   0.02) =   0.019%
          HA    GLN   17 - HN    ALA   61   8.64 +/- 0.91   0.554% *  0.6933% (0.38   0.02   0.02) =   0.004%
          HA    THR   46 - HN    ALA   61  10.44 +/- 1.36   0.236% *  0.8282% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ALA   61  14.21 +/- 0.84   0.025% *  1.7475% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.48 +/- 1.74   0.027% *  0.9719% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.72 +/- 0.96   0.007% *  1.8473% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.40 +/- 1.18   0.003% *  1.7475% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  19.13 +/- 1.09   0.004% *  0.4606% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.98 +/- 1.05   0.001% *  0.6933% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.15 +/- 1.27   0.001% *  0.6933% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.99:
          HA    ALA   57 - HN    ALA   61   4.36 +/- 0.74  98.271% * 84.4546% (0.41   2.00   1.99) =  99.964%  kept
          HA    ASP-  44 - HN    ALA   61   9.91 +/- 1.10   1.472% *  1.7832% (0.87   0.02   0.02) =   0.032%
          HA1   GLY   51 - HN    ALA   61  14.92 +/- 1.17   0.077% *  1.4927% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  17.15 +/- 1.11   0.044% *  1.8976% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.96 +/- 1.12   0.024% *  2.0150% (0.98   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  19.76 +/- 1.15   0.020% *  1.7170% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  22.14 +/- 2.30   0.015% *  1.8976% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   61  20.77 +/- 1.00   0.013% *  1.8436% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  17.09 +/- 1.01   0.045% *  0.3172% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  26.58 +/- 1.51   0.003% *  1.7170% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  23.31 +/- 2.18   0.008% *  0.4068% (0.20   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  23.37 +/- 1.53   0.007% *  0.4577% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 3 structures by 0.31 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.56 +/- 0.08  99.989% * 99.7221% (0.98 10.00   5.86  42.54) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.84 +/- 0.85   0.004% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.03 +/- 0.81   0.006% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  20.20 +/- 0.69   0.000% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  21.64 +/- 0.71   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.84, residual support = 54.3:
        T HN    ALA   64 - HN    LEU   63   2.68 +/- 0.15 100.000% *100.0000% (0.97 10.00   6.84  54.30) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.7, residual support = 27.9:
        T HN    LYS+  65 - HN    ALA   64   2.61 +/- 0.13 100.000% *100.0000% (0.97 10.00   4.70  27.93) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.84, residual support = 54.3:
          HN    LEU   63 - HN    ALA   64   2.68 +/- 0.15  99.979% * 99.0076% (0.99   6.84  54.30) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.16 +/- 0.85   0.013% *  0.2762% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  14.86 +/- 1.82   0.006% *  0.1771% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  18.53 +/- 1.43   0.001% *  0.1200% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  20.81 +/- 0.98   0.001% *  0.1771% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  20.82 +/- 0.90   0.001% *  0.1771% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.84 +/- 1.03   0.000% *  0.0650% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.7, residual support = 27.9:
        T HN    ALA   64 - HN    LYS+  65   2.61 +/- 0.13 100.000% *100.0000% (0.67 10.00   4.70  27.93) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.17, residual support = 24.9:
          HN    LYS+  66 - HN    LYS+  65   2.56 +/- 0.11  99.271% * 99.3343% (0.68   6.17  24.94) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.20 +/- 0.69   0.630% *  0.1859% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.69 +/- 1.09   0.042% *  0.2629% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.95 +/- 0.27   0.056% *  0.1350% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.31 +/- 1.03   0.000% *  0.0819% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.991, residual support = 3.72:
          HA    ASP-  62 - HN    LYS+  65   3.44 +/- 0.20  99.982% * 96.1934% (0.67   0.99   3.72) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.68 +/- 1.65   0.015% *  1.4606% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.70 +/- 1.05   0.002% *  1.9937% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  26.70 +/- 1.25   0.001% *  0.3523% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.17, residual support = 24.9:
        T HN    LYS+  65 - HN    LYS+  66   2.56 +/- 0.11 100.000% *100.0000% (0.97 10.00   6.17  24.94) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.97, residual support = 113.3:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.04  99.999% * 99.9389% (0.97  10.0   4.97 113.34) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  23.49 +/- 0.91   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.51 +/- 1.15   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0762, support = 2.61, residual support = 46.9:
          HD22  ASN   28 - HE3   TRP   27   4.78 +/- 0.20  99.987% * 94.2630% (0.08   2.61  46.86) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  21.48 +/- 1.01   0.013% *  5.7370% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 1 structures by 0.43 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 58.5:
      O   HA    LEU   67 - HN    LEU   67   2.78 +/- 0.15  99.954% * 99.9623% (1.00  10.0   5.80  58.47) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.28 +/- 0.57   0.043% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  16.96 +/- 1.03   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.26 +/- 0.69   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 9.87:
      O   HA    LYS+  66 - HN    LEU   67   3.42 +/- 0.10  99.935% * 99.9186% (0.97  10.0   4.45   9.87) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.52 +/- 0.76   0.046% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  21.33 +/- 0.87   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.00 +/- 0.36   0.015% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  20.20 +/- 0.88   0.003% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.33 +/- 1.08   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 27.6:
        T HN    VAL   70 - HN    ASN   69   2.46 +/- 0.57  99.998% * 99.9644% (0.87 10.00   4.26  27.57) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.43 +/- 1.05   0.002% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.49, residual support = 61.2:
      O   HA    ASN   69 - HN    ASN   69   2.87 +/- 0.05  99.992% * 99.8231% (0.76  10.0   5.49  61.20) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.01 +/- 0.53   0.008% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  22.15 +/- 0.82   0.000% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.2, residual support = 61.2:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.20  61.20) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  15.52 +/- 1.96   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.85 +/- 1.33   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.2, residual support = 61.2:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.997% * 99.7566% (0.52  10.0   3.20  61.20) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  10.99 +/- 1.59   0.003% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  25.46 +/- 1.44   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  22.62 +/- 2.34   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.07, residual support = 40.9:
          QE    PHE   72 - HN    VAL   70   4.12 +/- 0.43  99.987% * 97.9348% (0.45   2.07  40.88) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  19.07 +/- 0.87   0.013% *  2.0652% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.07 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   2.46 +/- 0.57  99.988% * 99.8277% (0.76 10.00   4.26  27.57) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.97 +/- 0.63   0.011% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.95 +/- 0.80   0.001% *  0.1236% (0.95  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  22.81 +/- 0.79   0.000% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 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   3.15 +/- 0.39  99.960% * 99.8197% (0.87  10.0   3.73  27.57) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  12.01 +/- 0.50   0.038% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  20.15 +/- 0.64   0.002% *  0.1060% (0.93   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 82.1:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  89.462% * 99.5350% (0.72  10.0   4.21  82.09) =  99.990%  kept
          HA1   GLY   16 - HN    VAL   70   5.68 +/- 1.79  10.342% *  0.0831% (0.60   1.0   0.02   0.02) =   0.010%
          HB2   SER   37 - HN    VAL   70   9.85 +/- 1.02   0.068% *  0.1265% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   70   8.96 +/- 0.76   0.117% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  17.23 +/- 3.06   0.004% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  14.57 +/- 0.98   0.006% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.39 +/- 0.86   0.001% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  27.44 +/- 1.09   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 140.2:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.01  99.889% * 99.9402% (1.00  10.0   6.62 140.17) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   9.23 +/- 0.29   0.098% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.96 +/- 0.60   0.013% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 31.5:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.02  99.706% * 99.5202% (1.00  10.0   5.05  31.46) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.64 +/- 1.41   0.100% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   7.83 +/- 0.77   0.070% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   7.66 +/- 1.26   0.112% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  11.06 +/- 1.71   0.009% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.44 +/- 1.33   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.53 +/- 3.45   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.96 +/- 1.27   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.27 +/- 1.14   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.27, residual support = 3.02:
          HA    VAL   41 - HN    LEU   71   4.12 +/- 1.02  97.574% * 98.7805% (1.00   2.28   3.02) =  99.982%  kept
          HA    HIS  122 - HN    LEU   71  14.03 +/- 6.02   2.328% *  0.7268% (0.84   0.02   0.02) =   0.018%
          HA    PHE   45 - HN    LEU   71  15.27 +/- 0.56   0.097% *  0.4927% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 4 structures by 0.45 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 2.12:
          HN    VAL   42 - HN    LEU   71   4.79 +/- 0.49  85.053% * 64.8899% (0.61   2.32   2.24) =  94.363%  kept
          HN    LEU   73 - HN    LEU   71   6.97 +/- 0.18   9.494% * 34.2048% (0.61   1.22   0.02) =   5.552%  kept
          HN    ILE   19 - HN    LEU   71   8.07 +/- 0.67   5.453% *  0.9053% (0.98   0.02   0.02) =   0.084%
    Distance limit 4.44 A violated in 1 structures by 0.29 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.55, residual support = 90.3:
          QD    PHE   72 - HN    PHE   72   2.64 +/- 0.35  99.936% * 98.9089% (0.45   5.55  90.31) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.15 +/- 0.95   0.044% *  0.5770% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.30 +/- 0.58   0.020% *  0.5140% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.13, residual support = 90.3:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.13  90.31) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 19.6:
      O   HA    LEU   71 - HN    PHE   72   2.20 +/- 0.04  99.887% * 99.9402% (1.00  10.0   5.28  19.56) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.24 +/- 0.50   0.092% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   9.14 +/- 0.59   0.021% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.35 +/- 0.65  66.197% *  7.2068% (0.18   0.02   0.02) =  40.784%  kept
          HA    THR   23 - HN    PHE   72  16.39 +/- 0.63  12.360% * 29.8815% (0.73   0.02   0.02) =  31.574%  kept
          HA    ASP-  78 - HN    PHE   72  20.70 +/- 0.27   2.998% * 39.7133% (0.97   0.02   0.02) =  10.180%  kept
          HB    THR   23 - HN    PHE   72  16.68 +/- 0.73  11.204% *  9.1616% (0.22   0.02   0.02) =   8.775%  kept
          HA    LEU   80 - HN    PHE   72  18.08 +/- 1.00   7.240% * 14.0368% (0.34   0.02   0.02) =   8.688%  kept
    Distance limit 4.32 A violated in 20 structures by 7.19 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.561, support = 0.02, residual support = 0.17:
          QE    PHE   60 - HN    LEU   73   6.17 +/- 1.21  87.339% * 15.3170% (0.49   0.02   0.21) =  81.121%  kept
          HZ2   TRP   87 - HN    LEU   73  11.20 +/- 2.57   5.905% * 31.1892% (0.99   0.02   0.02) =  11.168%  kept
          HD21  ASN   28 - HN    LEU   73  12.29 +/- 1.28   2.285% * 30.8446% (0.98   0.02   0.02) =   4.274%  kept
          HN    LEU   63 - HN    LEU   73  10.87 +/- 0.89   4.114% * 12.9368% (0.41   0.02   0.02) =   3.227%  kept
          HN    ILE   56 - HN    LEU   73  16.02 +/- 1.29   0.357% *  9.7124% (0.31   0.02   0.02) =   0.210%
    Distance limit 4.43 A violated in 16 structures by 1.61 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.21, residual support = 168.6:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.02 100.000% *100.0000% (0.95  10.0   6.21 168.62) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.14, residual support = 40.5:
      O   HA    PHE   72 - HN    LEU   73   2.26 +/- 0.05 100.000% *100.0000% (0.53  10.0   5.14  40.49) = 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 = 0.531, support = 3.73, residual support = 9.03:
          HA    VAL   43 - HN    LEU   73   3.14 +/- 0.63  95.381% * 69.3288% (0.53   3.77   9.17) =  98.428%  kept
          HA    LEU   71 - HN    LEU   73   6.11 +/- 0.18   3.487% * 30.2436% (0.84   1.04   0.02) =   1.570%  kept
          HA    ALA   20 - HN    LEU   73   7.59 +/- 0.38   1.015% *  0.0947% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    LEU   73  11.24 +/- 0.67   0.074% *  0.1384% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.11 +/- 0.39   0.043% *  0.1945% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.64, residual support = 9.85:
        T HN    CYS   21 - HN    LYS+  74   2.94 +/- 0.42  99.966% * 95.8247% (0.12 10.00   3.64   9.85) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  17.90 +/- 1.87   0.004% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  14.18 +/- 2.10   0.019% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  15.80 +/- 0.62   0.006% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.37 +/- 0.51   0.005% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.555, support = 3.7, residual support = 13.1:
        T HN    ILE   19 - HN    LYS+  74   3.86 +/- 0.52  67.227% * 72.9408% (0.54 10.00   3.25   8.65) =  85.213%  kept
          HN    LEU   73 - HN    LYS+  74   4.43 +/- 0.09  31.565% * 26.9548% (0.64  1.00   6.30  39.10) =  14.785%  kept
          HN    VAL   42 - HN    LYS+  74   7.97 +/- 0.59   1.195% *  0.0856% (0.64  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HN    LYS+  74  16.62 +/- 1.05   0.013% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.45, residual support = 39.1:
      O   HA    LEU   73 - HN    LYS+  74   2.28 +/- 0.08 100.000% *100.0000% (0.68  10.0   5.45  39.10) = 100.000%  kept
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.06, residual support = 187.3:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.02  99.868% * 99.4309% (0.20  10.0   6.06 187.34) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.07 +/- 0.56   0.123% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  14.81 +/- 1.32   0.007% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.44 +/- 3.31   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.75, residual support = 8.34:
          HA    ALA   20 - HN    LYS+  74   3.47 +/- 0.37  99.583% * 99.7097% (0.68   3.75   8.34) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.87 +/- 0.24   0.417% *  0.2903% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.06 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.06, residual support = 32.0:
      O   HA    LYS+  74 - HN    VAL   75   2.25 +/- 0.04  99.987% * 99.7992% (0.61  10.0   6.06  32.05) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  10.71 +/- 1.45   0.013% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.74 +/- 2.48   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.75, residual support = 36.2:
      O   HA    ASP-  76 - HN    ASP-  76   2.88 +/- 0.04  99.999% * 99.5538% (0.22  10.0   3.75  36.22) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.25 +/- 1.05   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.5:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.899% * 99.5919% (0.65  10.0   3.97  19.48) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.97 +/- 1.10   0.091% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  11.54 +/- 1.98   0.008% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  14.47 +/- 2.30   0.002% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  19.90 +/- 1.03   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.28, residual support = 28.1:
        T HN    ASP-  78 - HN    THR   77   2.72 +/- 0.09  98.961% * 99.9203% (0.98 10.00   5.28  28.13) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.91 +/- 0.38   1.037% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.91 +/- 1.92   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.28, residual support = 28.1:
        T HN    THR   77 - HN    ASP-  78   2.72 +/- 0.09 100.000% *100.0000% (1.00 10.00   5.28  28.13) = 100.000%  kept
    Distance limit 3.63 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 = 3.75, residual support = 19.9:
        T HN    GLU-  79 - HN    ASP-  78   2.57 +/- 0.12  99.979% * 99.9158% (0.99 10.00   3.75  19.94) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.84 +/- 0.91   0.021% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.75, residual support = 19.9:
        T HN    ASP-  78 - HN    GLU-  79   2.57 +/- 0.12  99.911% * 99.9001% (0.56 10.00   3.75  19.94) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.35 +/- 0.32   0.089% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.26, residual support = 56.3:
      O   HA    GLU-  79 - HN    GLU-  79   2.88 +/- 0.04  97.736% * 99.4285% (0.60  10.0   4.26  56.33) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.53 +/- 0.40   2.216% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.85 +/- 0.53   0.021% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.42 +/- 0.56   0.016% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.56 +/- 2.13   0.006% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  16.39 +/- 1.26   0.003% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.15 +/- 1.75   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.05 +/- 0.62   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  32.93 +/- 1.93   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0825, support = 3.79, residual support = 19.9:
      O   HA    ASP-  78 - HN    GLU-  79   3.54 +/- 0.09  99.290% * 98.7485% (0.08  10.0   3.79  19.94) =  99.995%  kept
          HA    PHE   45 - HN    GLU-  79   8.22 +/- 0.57   0.705% *  0.7232% (0.60   1.0   0.02   0.02) =   0.005%
          HA    VAL   41 - HN    GLU-  79  18.56 +/- 0.65   0.005% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.24 +/- 2.04   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.0:
      O   HA    ASP-  76 - HN    THR   77   2.28 +/- 0.03 100.000% * 99.8354% (0.53  10.0   4.53  11.03) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  21.70 +/- 0.95   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 1.22, residual support = 3.82:
          HA    ALA   47 - HN    THR   77   4.83 +/- 1.27  92.788% * 88.9739% (0.57   1.22   3.83) =  99.814%  kept
          HA    CYS   50 - HN    THR   77   9.19 +/- 1.45   3.031% *  2.5199% (0.98   0.02   0.02) =   0.092%
          HA    TRP   49 - HN    THR   77  10.36 +/- 1.19   1.570% *  2.2300% (0.87   0.02   0.02) =   0.042%
          HA    CYS   21 - HN    THR   77  10.68 +/- 0.65   1.484% *  1.7659% (0.69   0.02   0.02) =   0.032%
          HA    VAL  108 - HN    THR   77  13.60 +/- 1.95   0.823% *  1.1526% (0.45   0.02   0.02) =   0.011%
          HA1   GLY  109 - HN    THR   77  15.86 +/- 1.78   0.246% *  2.4810% (0.97   0.02   0.02) =   0.007%
          HA    LYS+ 102 - HN    THR   77  21.49 +/- 2.10   0.057% *  0.8769% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 9 structures by 0.83 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.255, support = 1.21, residual support = 11.8:
          HA    THR   46 - HN    THR   77   5.70 +/- 0.87  75.800% * 80.8910% (0.25   1.22  12.00) =  98.583%  kept
          HA    GLN   90 - HN    THR   77   8.52 +/- 2.14  23.186% *  3.6409% (0.69   0.02   0.02) =   1.357%  kept
          HA    VAL   42 - HN    THR   77  14.54 +/- 0.84   0.371% *  4.5977% (0.87   0.02   0.02) =   0.027%
          HA    ALA  110 - HN    THR   77  15.04 +/- 2.95   0.383% *  3.0008% (0.57   0.02   0.02) =   0.018%
          HA    PHE   55 - HN    THR   77  16.35 +/- 1.57   0.151% *  4.5977% (0.87   0.02   0.02) =   0.011%
          HA    GLN   17 - HN    THR   77  17.69 +/- 0.93   0.100% *  1.6359% (0.31   0.02   0.02) =   0.003%
          HA    SER   37 - HN    THR   77  26.19 +/- 0.68   0.009% *  1.6359% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 11 structures by 1.13 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.7:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.02  97.826% * 99.1602% (0.76  10.0   4.01  37.74) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.95 +/- 0.37   1.641% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.06 +/- 0.66   0.347% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.34 +/- 0.71   0.088% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.56 +/- 0.90   0.030% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.79 +/- 1.88   0.059% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  18.86 +/- 1.99   0.005% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.48 +/- 1.17   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.55 +/- 1.40   0.002% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.50 +/- 0.72   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  29.40 +/- 1.21   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  32.56 +/- 1.56   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 5.12, residual support = 30.9:
        T HN    LEU   80 - HN    LYS+  81   3.41 +/- 0.36  97.680% * 98.5772% (0.65 10.00   5.12  30.93) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.48 +/- 0.23   2.303% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  19.94 +/- 0.80   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  17.43 +/- 0.88   0.006% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.21 +/- 1.53   0.008% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 11.9:
        T HN    SER   82 - HN    LYS+  81   2.62 +/- 0.15  99.946% * 99.8569% (1.00 10.00   3.75  11.89) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  11.17 +/- 1.78   0.054% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.64 +/- 0.76   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.80 +/- 1.88   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  26.92 +/- 1.37   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.38, residual support = 30.9:
      O   HA    LEU   80 - HN    LYS+  81   2.68 +/- 0.19  98.179% * 99.6041% (0.69  10.0   5.38  30.93) =  99.997%  kept
          HA    ASP-  78 - HN    LYS+  81   5.94 +/- 0.79   1.037% *  0.1372% (0.95   1.0   0.02   0.67) =   0.001%
          HA    THR   23 - HN    LYS+  81   7.10 +/- 0.71   0.668% *  0.1421% (0.98   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    LYS+  81   9.33 +/- 0.88   0.116% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.12 +/- 0.73   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.27, residual support = 101.9:
      O   HA    LYS+  81 - HN    LYS+  81   2.81 +/- 0.05  99.988% * 99.7055% (0.99  10.0   5.27 101.90) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.02 +/- 0.83   0.011% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  19.98 +/- 1.29   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  26.11 +/- 0.82   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.39 +/- 1.28   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.20 +/- 2.83   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.93, residual support = 33.4:
      O   HA    SER   82 - HN    SER   82   2.80 +/- 0.03  99.963% * 98.7108% (0.25  10.0   3.93  33.45) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  11.20 +/- 1.13   0.028% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.93 +/- 0.77   0.007% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.58 +/- 0.68   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.22 +/- 1.40   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  26.18 +/- 1.70   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.202, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82  10.21 +/- 0.69  99.109% * 32.4951% (0.20   0.02   0.02) =  98.167%  kept
          HA    ASP- 105 - HN    SER   82  22.95 +/- 1.41   0.891% * 67.5049% (0.41   0.02   0.02) =   1.833%  kept
    Distance limit 4.20 A violated in 20 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 20.3:
        T HN    VAL   83 - HN    SER   82   2.62 +/- 0.12  99.998% * 99.9274% (1.00 10.00   5.62  20.28) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.14 +/- 1.36   0.002% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 11.9:
          HN    LYS+  81 - HN    SER   82   2.62 +/- 0.15  99.988% * 99.2018% (1.00   3.75  11.89) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  12.38 +/- 1.18   0.010% *  0.1179% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.63 +/- 0.82   0.001% *  0.4241% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.09 +/- 1.45   0.000% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.15 +/- 0.92   0.000% *  0.1635% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.6, residual support = 41.9:
        T HN    ALA   84 - HN    VAL   83   2.68 +/- 0.06  99.998% * 99.6823% (0.75 10.00   7.60  41.93) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  18.49 +/- 2.37   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.79 +/- 1.92   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.36 +/- 1.21   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.20 +/- 0.79   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 20.3:
        T HN    SER   82 - HN    VAL   83   2.62 +/- 0.12  99.962% * 99.8569% (0.75 10.00   5.62  20.28) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.65 +/- 1.45   0.036% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  18.82 +/- 2.70   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.99 +/- 0.88   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.08 +/- 1.44   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.75 +/- 0.10  99.979% * 99.8725% (0.99 10.00   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.69 +/- 0.64   0.018% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.22 +/- 1.17   0.003% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  18.40 +/- 0.95   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.6, residual support = 41.9:
        T HN    VAL   83 - HN    ALA   84   2.68 +/- 0.06  99.996% * 99.9274% (1.00 10.00   7.60  41.93) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.74 +/- 1.09   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.26, residual support = 5.56:
          HA    LYS+  81 - HN    ALA   84   3.50 +/- 0.41  99.910% * 95.7041% (0.80   2.26   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  11.82 +/- 1.25   0.073% *  0.5139% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.41 +/- 1.21   0.006% *  1.0190% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.73 +/- 1.57   0.003% *  0.4734% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  20.24 +/- 0.96   0.003% *  0.3259% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  19.36 +/- 2.31   0.005% *  0.1849% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  24.58 +/- 1.01   0.001% *  0.7253% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  31.71 +/- 2.59   0.000% *  1.0535% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.419, support = 0.0199, residual support = 0.0199:
          HA    GLU-  25 - HN    VAL   83  10.25 +/- 1.67  72.291% * 13.1508% (0.34   0.02   0.02) =  62.406%  kept
          HA    THR   26 - HN    VAL   83  12.81 +/- 1.18  18.104% * 21.2999% (0.55   0.02   0.02) =  25.313%  kept
          HA    CYS   53 - HN    VAL   83  18.65 +/- 1.42   3.189% * 27.0775% (0.70   0.02   0.02) =   5.668%  kept
          HA    ILE   19 - HN    VAL   83  17.28 +/- 0.53   4.078% * 20.1488% (0.52   0.02   0.02) =   5.394%  kept
          HA1   GLY  101 - HN    VAL   83  19.39 +/- 2.58   1.945% *  7.3142% (0.19   0.02   0.02) =   0.934%  kept
          HA    GLU- 114 - HN    VAL   83  24.73 +/- 1.63   0.393% * 11.0089% (0.28   0.02   0.02) =   0.284%
    Distance limit 4.19 A violated in 20 structures by 5.44 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   4.33 +/- 0.12  79.793% * 99.5391% (0.58 10.00   2.60   5.20) =  99.989%  kept
          HN    LEU   80 - HN    VAL   83   5.57 +/- 0.56  20.120% *  0.0444% (0.26  1.00   0.02   0.02) =   0.011%
          HN    GLN   32 - HN    VAL   83  15.23 +/- 2.20   0.053% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.45 +/- 1.36   0.016% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.85 +/- 1.86   0.019% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.38, residual support = 11.0:
          HN    SER   82 - HN    ALA   84   3.81 +/- 0.12  98.136% * 99.2562% (0.87   4.38  11.01) =  99.993%  kept
          HN    GLN   90 - HN    ALA   84   8.19 +/- 1.24   1.850% *  0.3591% (0.69   0.02   0.02) =   0.007%
          HN    ILE  103 - HN    ALA   84  18.16 +/- 2.53   0.012% *  0.2544% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  23.59 +/- 0.96   0.002% *  0.1303% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.40 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   2.52 +/- 0.12  99.996% * 97.4562% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  15.81 +/- 0.45   0.002% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.39 +/- 0.47   0.002% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  19.89 +/- 1.77   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  24.91 +/- 3.92   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  29.34 +/- 2.58   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.75 +/- 0.10  99.850% * 97.8189% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.56 +/- 0.36   0.114% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  10.72 +/- 1.38   0.034% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  19.97 +/- 2.10   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.61 +/- 1.23   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  23.23 +/- 1.15   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  21.06 +/- 1.39   0.001% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.2:
        T HN    VAL   83 - HN    SER   85   4.33 +/- 0.12  99.955% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  16.03 +/- 1.23   0.045% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.27 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.2:
      O   HA    SER   85 - HN    SER   85   2.80 +/- 0.04  96.602% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.98 +/- 0.11   3.101% *  0.0449% (0.45   1.0   0.02  13.43) =   0.001%
          HB    THR   77 - HN    SER   85   8.49 +/- 2.03   0.238% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.11 +/- 0.53   0.046% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.18 +/- 0.79   0.009% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.98 +/- 2.44   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.57 +/- 1.16   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.10 +/- 2.16   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  24.86 +/- 0.74   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.64 +/- 2.77   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  36.64 +/- 3.06   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.96 +/- 2.78   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.554, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.11 +/- 0.77  11.835% * 23.1039% (0.98   0.02   0.02) =  32.485%  kept
          HA    ASN   28 - HN    SER   85  13.41 +/- 1.11  36.845% *  5.2476% (0.22   0.02   0.02) =  22.971%  kept
          HA    GLU-  25 - HN    SER   85  13.81 +/- 0.45  28.585% *  4.1279% (0.18   0.02   0.02) =  14.018%  kept
          HA    CYS   53 - HN    SER   85  17.85 +/- 1.40   6.691% * 14.2963% (0.61   0.02   0.02) =  11.364%  kept
          HA1   GLY  101 - HN    SER   85  20.00 +/- 2.39   4.001% * 13.3446% (0.57   0.02   0.02) =   6.343%  kept
          HA    ILE   19 - HN    SER   85  19.28 +/- 2.06   6.282% *  8.0401% (0.34   0.02   0.02) =   6.001%  kept
          HA    GLU- 114 - HN    SER   85  23.04 +/- 2.22   1.592% * 17.1158% (0.73   0.02   0.02) =   3.238%  kept
          HA    ALA   34 - HN    SER   85  21.75 +/- 0.75   1.897% *  8.8463% (0.38   0.02   0.02) =   1.994%  kept
          HA    LEU  115 - HN    SER   85  21.49 +/- 1.73   2.272% *  5.8774% (0.25   0.02   0.02) =   1.586%  kept
    Distance limit 3.76 A violated in 20 structures by 7.43 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   2.52 +/- 0.12  99.992% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    GLN   32 - HN    ASP-  86  16.44 +/- 1.83   0.002% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  12.93 +/- 0.52   0.006% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  18.64 +/- 1.45   0.001% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.73 +/- 0.03  99.576% * 98.7385% (0.95   3.69  22.50) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.80 +/- 0.19   0.424% *  0.1746% (0.31   0.02  22.50) =   0.001%
          HN    GLN   17 - HN    ASP-  86  23.80 +/- 1.41   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  27.14 +/- 1.24   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.841, support = 4.02, residual support = 40.8:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.02  81.156% * 84.6024% (0.87  10.0   4.05  41.83) =  96.362%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.01  17.220% * 15.0488% (0.15  10.0   3.27  13.43) =   3.637%  kept
          HA    TRP   87 - HN    ASP-  86   5.27 +/- 0.04   1.569% *  0.0271% (0.28   1.0   0.02  22.50) =   0.001%
          HB    THR   77 - HN    ASP-  86  10.13 +/- 1.59   0.046% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  12.84 +/- 0.64   0.008% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.38 +/- 2.95   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.24 +/- 2.47   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  33.41 +/- 2.54   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  35.99 +/- 2.90   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.73 +/- 0.03  99.990% * 98.4310% (1.00   3.69  22.50) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.21 +/- 0.90   0.004% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.37 +/- 0.94   0.003% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  16.42 +/- 2.42   0.003% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  21.96 +/- 4.32   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.14 +/- 2.35   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 3.98, residual support = 66.8:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.292% * 78.1363% (0.90  10.0   4.03  70.38) =  92.449%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.03  22.705% * 21.7248% (0.25  10.0   3.39  22.50) =   7.551%  kept
          HA    LEU  104 - HN    TRP   87  17.13 +/- 3.01   0.003% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.88 +/- 1.26   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.55 +/- 2.50   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.90 +/- 2.61   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.86, residual support = 70.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.681% * 98.5220% (0.28  10.0   1.86  70.38) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2760% (0.73   1.0   0.02  70.38) =   0.003%
          HN    TRP   27 - HE1   TRP   87   9.92 +/- 2.00   0.049% *  0.3409% (0.90   1.0   0.02   6.06) =   0.000%
          HN    ALA   91 - HE1   TRP   87  10.80 +/- 1.12   0.041% *  0.3768% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  18.16 +/- 1.16   0.001% *  0.3669% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.71 +/- 2.98   0.001% *  0.1173% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.06:
          HZ2   TRP   27 - HE1   TRP   87   5.50 +/- 4.09  97.521% * 99.7535% (0.80   2.00   6.06) =  99.994%  kept
          HZ    PHE   72 - HE1   TRP   87  17.48 +/- 1.88   2.479% *  0.2465% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.12 A violated in 4 structures by 1.54 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 2.95, residual support = 5.13:
      O   HA    TRP   87 - HN    ALA   88   3.26 +/- 0.11  28.782% * 95.2913% (0.28  10.0   2.98   5.19) =  98.869%  kept
          HA    ASP-  86 - HN    ALA   88   4.03 +/- 0.26   7.954% *  3.5255% (0.87   1.0   0.24   0.02) =   1.011%  kept
          HA    SER   85 - HN    ALA   88   2.88 +/- 0.46  63.216% *  0.0529% (0.15   1.0   0.02   0.02) =   0.121%
          HB    THR   77 - HN    ALA   88  10.36 +/- 1.29   0.035% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  12.16 +/- 0.46   0.012% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.89 +/- 2.59   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.23 +/- 3.28   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.66 +/- 3.29   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  37.27 +/- 3.47   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.87, residual support = 18.0:
          HA    TRP   87 - HN    ILE   89   4.33 +/- 0.18  89.305% * 76.3162% (0.61   0.89  18.54) =  97.341%  kept
          HA    ASP-  86 - HN    ILE   89   6.28 +/- 0.40  10.656% * 17.4613% (0.53   0.23   0.02) =   2.658%  kept
          HA    LEU  104 - HN    ILE   89  17.38 +/- 2.06   0.026% *  2.6835% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  20.37 +/- 1.61   0.010% *  0.4377% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  28.00 +/- 2.90   0.002% *  1.7206% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  33.66 +/- 2.92   0.001% *  1.3808% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.5:
          HN    ALA   91 - HN    GLN   90   2.21 +/- 0.43  99.975% * 99.1370% (0.92   6.75  32.51) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90   9.90 +/- 0.80   0.022% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  17.08 +/- 2.37   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  16.70 +/- 1.58   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  22.81 +/- 2.10   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.353, support = 5.43, residual support = 88.6:
      O   HA    GLN   90 - HN    GLN   90   2.69 +/- 0.29  94.928% * 68.5363% (0.34  10.0   5.47  89.92) =  97.667%  kept
          HA    ALA   91 - HN    GLN   90   4.63 +/- 0.33   5.012% * 31.0100% (0.87   1.0   3.56  32.51) =   2.333%  kept
          HA    VAL  107 - HN    GLN   90  12.17 +/- 1.65   0.019% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  12.05 +/- 2.30   0.036% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  16.01 +/- 1.41   0.002% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  16.65 +/- 1.19   0.002% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 89.9:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  89.92) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  27.92 +/- 2.09   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  27.96 +/- 3.67   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 = 89.9:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.978% * 99.4024% (0.76  10.0   1.00  89.92) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   7.84 +/- 1.22   0.020% *  0.0646% (0.25   1.0   0.02   6.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  13.97 +/- 3.05   0.001% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  19.93 +/- 3.56   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  19.25 +/- 2.45   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  24.24 +/- 4.15   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  18.71 +/- 1.43   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  27.70 +/- 1.47   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  27.92 +/- 2.09   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.70 +/- 1.32   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.21 +/- 1.98   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  35.86 +/- 3.04   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 = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.21 +/- 0.43  99.272% * 99.6698% (0.95 10.00   6.75  32.51) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   8.15 +/- 3.06   0.700% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.95 +/- 1.58   0.011% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.70 +/- 1.58   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.86 +/- 1.93   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.77 +/- 0.92   0.013% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.34 +/- 1.51   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.94 +/- 1.42   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.211, support = 0.02, residual support = 6.66:
          HA    LEU   73 - HN    TRP   27   8.95 +/- 0.90  96.405% * 10.9973% (0.08   0.02   8.66) =  76.815%  kept
          HA    LEU   73 - HN    ALA   91  17.11 +/- 1.66   3.595% * 89.0027% (0.65   0.02   0.02) =  23.185%  kept
    Distance limit 4.31 A violated in 20 structures by 4.59 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.881, support = 2.77, residual support = 24.3:
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.03  43.299% * 89.2967% (1.00  10.0   2.46  12.95) =  86.723%  kept
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  56.589% * 10.4606% (0.12  10.0   4.79  98.32) =  13.277%  kept
          HA    ALA  110 - HN    ALA   91  10.84 +/- 2.54   0.085% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  11.66 +/- 1.82   0.015% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.51 +/- 2.19   0.011% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.62 +/- 1.08   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.87 +/- 1.12   0.000% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.41 +/- 0.85   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.24 +/- 2.13   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.45 +/- 2.64   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 62.1:
      O   HA    MET   92 - HN    MET   92   2.49 +/- 0.23  99.960% * 99.1845% (0.25  10.0   4.21  62.13) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   9.57 +/- 0.71   0.040% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.00 +/- 1.88   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  21.00 +/- 0.78   0.000% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.96:
      O   HA    ALA   91 - HN    MET   92   2.27 +/- 0.09  99.887% * 99.6892% (0.80  10.0   2.89   8.96) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   8.73 +/- 2.29   0.094% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.36 +/- 0.90   0.004% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.50 +/- 2.10   0.014% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  19.09 +/- 0.75   0.000% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   3.01 +/- 0.50  98.523% * 99.8946% (0.95 10.00   3.30  27.15) =  99.998%  kept
          HN    ALA  110 - HN    THR   94   7.55 +/- 2.28   1.477% *  0.1054% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.67 +/- 0.73 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.23 A violated in 20 structures by 4.44 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   2.18 +/- 0.07  99.970% * 99.9112% (0.22  10.0   4.09  15.59) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.97 +/- 0.91   0.030% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.964, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.92 +/- 0.29  86.515% * 54.6147% (1.00   0.02   0.02) =  91.396%  kept
          HA    LYS+  74 - HN    THR   94   8.30 +/- 0.69  13.349% * 33.1992% (0.61   0.02   0.02) =   8.572%  kept
          HA    HIS  122 - HN    THR   94  17.66 +/- 1.57   0.136% * 12.1862% (0.22   0.02   0.02) =   0.032%
    Distance limit 3.67 A violated in 20 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.6:
          HN    VAL  107 - HN    PHE   95   3.19 +/- 0.92  99.974% * 99.0525% (0.97   2.00  45.62) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  15.09 +/- 1.18   0.026% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 2 structures by 0.18 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   3.06 +/- 0.50  99.766% * 99.3379% (0.87   3.86  73.52) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  10.84 +/- 0.72   0.074% *  0.5142% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95  10.12 +/- 1.65   0.160% *  0.1478% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 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  73.52) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.4:
      O   HA    THR   94 - HN    PHE   95   2.17 +/- 0.04  99.970% * 99.8515% (0.65  10.0   3.16  14.39) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95   9.81 +/- 0.38   0.012% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.19 +/- 0.35   0.018% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.20 +/- 0.01 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.5:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  99.743% * 99.9800% (0.94  10.0   4.09 115.52) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.95 +/- 0.45   0.257% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.34, residual support = 55.8:
        T HN    ASP- 105 - HN    PHE   97   3.68 +/- 0.57  99.898% * 99.9802% (1.00 10.00   4.34  55.82) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  13.44 +/- 1.95   0.102% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.09 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.09, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   2.83 +/- 0.71  99.678% * 98.9914% (0.80   4.09  62.58) =  99.998%  kept
          HZ3   TRP   87 - HN    PHE   97   9.64 +/- 4.32   0.321% *  0.5245% (0.87   0.02   0.02) =   0.002%
          HE3   TRP   49 - HN    PHE   97  22.85 +/- 1.53   0.001% *  0.4841% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.54, residual support = 8.73:
          HA    LYS+ 106 - HN    PHE   97   3.85 +/- 1.14 100.000% *100.0000% (0.98   2.54   8.73) = 100.000%  kept
    Distance limit 4.21 A violated in 2 structures by 0.29 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 45.5:
      O   HA    MET   96 - HN    PHE   97   2.25 +/- 0.06  99.983% * 99.9800% (0.99  10.0   6.07  45.52) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.64 +/- 0.58   0.017% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.16, residual support = 18.3:
        T HN    VAL   41 - HN    LEU   98   3.69 +/- 0.94 100.000% *100.0000% (0.69 10.00   4.16  18.27) = 100.000%  kept
    Distance limit 3.85 A violated in 2 structures by 0.26 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 83.1:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.21  83.10) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.47, residual support = 11.0:
      O   HA    PHE   97 - HN    LEU   98   2.21 +/- 0.04 100.000% *100.0000% (0.98  10.0   3.47  11.02) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.472, support = 0.995, residual support = 3.0:
          HA    VAL   42 - HN    LEU   98   3.24 +/- 0.81  88.451% * 21.5752% (0.45   0.65   0.45) =  70.088%  kept
          HA    LEU   40 - HN    LEU   98   5.21 +/- 0.85  11.487% * 70.8962% (0.53   1.81   8.98) =  29.909%  kept
          HA    SER   37 - HN    LEU   98  14.26 +/- 1.00   0.019% *  1.4357% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  14.86 +/- 0.76   0.014% *  1.4357% (0.97   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   98  15.96 +/- 0.62   0.010% *  1.4746% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU   98  15.33 +/- 1.05   0.013% *  1.0803% (0.73   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   98  18.72 +/- 1.30   0.004% *  1.0219% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.27 +/- 1.48   0.002% *  1.0803% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.94, support = 0.991, residual support = 1.95:
          HN    LYS+ 102 - HN    LYS+  99   2.83 +/- 0.78  97.668% * 70.4345% (0.95   0.98   1.96) =  99.292%  kept
          HN    ASP- 105 - HN    LYS+  99   6.69 +/- 0.65   1.816% * 26.8933% (0.18   2.03   0.02) =   0.705%  kept
          HN    THR   39 - HN    LYS+  99   9.49 +/- 1.20   0.193% *  0.5682% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    LYS+  99  12.40 +/- 1.54   0.058% *  1.2123% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.37 +/- 0.29   0.171% *  0.0796% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  15.45 +/- 2.31   0.015% *  0.6224% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.68 +/- 0.46   0.043% *  0.0373% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.13 +/- 1.81   0.010% *  0.0941% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  13.77 +/- 1.37   0.022% *  0.0409% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.99 +/- 0.88   0.004% *  0.0174% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.13 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.42, residual support = 19.1:
      O   HA    LEU   98 - HN    LYS+  99   2.27 +/- 0.09  99.997% * 99.9934% (0.99  10.0   4.42  19.05) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  13.81 +/- 1.31   0.003% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 171.8:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.03  99.810% * 99.5300% (0.80  10.0   5.25 171.80) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.53 +/- 1.55   0.121% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  18.65 +/- 5.84   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.69 +/- 0.34   0.042% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  15.13 +/- 2.95   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.00 +/- 1.70   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  20.12 +/- 1.12   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.84 +/- 1.09   0.010% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.79 +/- 1.87   0.000% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  16.37 +/- 1.10   0.003% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  23.44 +/- 0.72   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.77 +/- 1.23   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  26.27 +/- 4.37   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.14 +/- 1.86   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   2.99 +/- 0.47  86.560% * 99.9864% (1.00 10.00   3.61  14.94) =  99.998%  kept
          HN    LEU   40 - HN    GLU- 100   5.27 +/- 1.77  13.440% *  0.0136% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.6:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.05  80.872% * 99.5956% (0.99  10.0   6.83  39.65) =  99.995%  kept
          HA    LEU   40 - HN    GLU- 100   3.58 +/- 1.66  18.709% *  0.0199% (0.20   1.0   0.02   0.02) =   0.005%
          HA    ASN   35 - HN    GLU- 100   6.64 +/- 1.61   0.418% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  19.65 +/- 6.42   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.92 +/- 1.86   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.95 +/- 1.90   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.79 +/- 1.31   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.60 +/- 0.71  99.413% * 98.8232% (0.95   3.13  12.52) =  99.998%  kept
          HN    THR   39 - HN    GLY  101   7.99 +/- 1.60   0.416% *  0.2506% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLY  101   9.99 +/- 1.74   0.080% *  0.5347% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.84 +/- 0.53   0.086% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  16.49 +/- 2.20   0.005% *  0.2745% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.984, residual support = 1.96:
          HN    LYS+  99 - HN    LYS+ 102   2.83 +/- 0.78  99.562% * 95.2900% (0.98   0.98   1.96) =  99.997%  kept
          HE1   HIS  122 - HN    LYS+ 102  15.63 +/- 7.09   0.084% *  1.8698% (0.95   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    LYS+ 102  10.66 +/- 2.13   0.339% *  0.3050% (0.15   0.02   0.02) =   0.001%
          HN    GLN   30 - HN    LYS+ 102  15.13 +/- 1.81   0.010% *  0.4929% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.23 +/- 2.51   0.002% *  1.6511% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  18.73 +/- 2.62   0.003% *  0.3912% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.60 +/- 0.71  99.895% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.10 +/- 1.38   0.105% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   2.99 +/- 0.47 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.982, support = 1.42, residual support = 1.39:
          HA    LYS+  99 - HN    GLY  101   3.75 +/- 0.58  83.006% * 88.9026% (0.99   1.43   1.41) =  98.840%  kept
          HA    LEU   40 - HN    GLY  101   5.58 +/- 1.19  13.031% *  6.2958% (0.20   0.51   0.02) =   1.099%  kept
          HA    ASN   35 - HN    GLY  101   6.86 +/- 1.75   3.948% *  1.1584% (0.92   0.02   0.02) =   0.061%
          HA    LEU  123 - HN    GLY  101  21.12 +/- 5.85   0.010% *  1.0049% (0.80   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.06 +/- 1.67   0.001% *  1.1255% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  25.36 +/- 1.82   0.001% *  1.1255% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  22.69 +/- 1.02   0.002% *  0.3873% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.60 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   2.49 +/- 0.18  99.886% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.37 +/- 1.70   0.103% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.39 +/- 1.51   0.008% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.28 +/- 1.58   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  20.64 +/- 2.31   0.000% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.72 +/- 1.39   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  22.12 +/- 6.37   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.53 +/- 1.60   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.58, residual support = 37.3:
          HN    LEU  104 - HN    ILE  103   4.52 +/- 0.28  99.938% * 99.3917% (0.49   6.58  37.29) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  15.91 +/- 1.01   0.062% *  0.6083% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.23 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.31 +/- 0.13  99.999% * 99.7796% (0.97  10.0   5.97  22.38) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.35 +/- 1.53   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.17 +/- 0.93   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.60 +/- 1.18   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.44 +/- 1.74   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  28.91 +/- 1.55   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.99, residual support = 138.3:
      O   HA    ILE  103 - HN    ILE  103   2.79 +/- 0.07  99.948% * 99.2916% (0.98  10.0   6.99 138.30) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  12.84 +/- 1.77   0.034% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  13.78 +/- 1.08   0.008% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  18.18 +/- 3.25   0.002% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  15.71 +/- 4.46   0.007% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.54 +/- 2.75   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  23.54 +/- 2.40   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.47 +/- 2.05   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.53 +/- 1.70   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.74 +/- 3.25   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.57 +/- 1.99   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.90 +/- 2.26   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.65, residual support = 40.5:
        T HN    ASP- 105 - HN    LEU  104   2.54 +/- 0.56  99.997% * 99.9802% (1.00 10.00   6.65  40.50) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  16.11 +/- 2.32   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.65, residual support = 6.13:
          HA    LEU   98 - HN    LEU  104   3.60 +/- 1.28 100.000% *100.0000% (0.80   2.65   6.13) = 100.000%  kept
    Distance limit 3.79 A violated in 3 structures by 0.37 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.98, residual support = 37.3:
      O   HA    ILE  103 - HN    LEU  104   2.41 +/- 0.31  99.978% * 99.2645% (0.95  10.0   5.98  37.29) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.55 +/- 1.00   0.010% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.25 +/- 1.05   0.008% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.65 +/- 2.30   0.001% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  17.03 +/- 3.27   0.002% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  19.85 +/- 2.12   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  23.63 +/- 1.78   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.35 +/- 1.87   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.92 +/- 1.18   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.67 +/- 2.42   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.19 +/- 1.43   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.63 +/- 1.49   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.34, residual support = 55.8:
        T HN    PHE   97 - HN    ASP- 105   3.68 +/- 0.57  99.909% * 99.7623% (0.73 10.00   4.34  55.82) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  13.25 +/- 1.48   0.067% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.34 +/- 1.19   0.023% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.10 +/- 1.86   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 1 structures by 0.15 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.65, residual support = 40.5:
        T HN    LEU  104 - HN    ASP- 105   2.54 +/- 0.56  99.988% * 99.9822% (0.87 10.00   6.65  40.50) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.65 +/- 1.00   0.012% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.06 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 136.5:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.18 136.51) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 20.5:
      O   HA    ASP- 105 - HN    LYS+ 106   2.48 +/- 0.07  99.999% * 99.6913% (0.92  10.0   3.49  20.53) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.07 +/- 0.79   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.61 +/- 0.82   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.23 +/- 0.76   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.23 +/- 1.49   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.42, residual support = 42.1:
      O   HA    ASP- 105 - HN    ASP- 105   2.90 +/- 0.02  99.998% * 99.6913% (0.92  10.0   4.42  42.13) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.07 +/- 0.93   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.63 +/- 0.80   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.62 +/- 0.75   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.32 +/- 1.51   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.362, support = 6.16, residual support = 37.9:
      O   HA    LEU  104 - HN    ASP- 105   3.42 +/- 0.48  79.919% * 76.4409% (0.34  10.0   6.38  40.50) =  93.259%  kept
          HA    ILE  103 - HN    ASP- 105   4.63 +/- 0.55  19.925% * 22.1589% (0.65   1.0   3.06   2.59) =   6.740%  kept
          HA    ASP-  44 - HN    ASP- 105  10.66 +/- 0.60   0.110% *  0.1872% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.23 +/- 1.02   0.030% *  0.0499% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  17.69 +/- 3.01   0.006% *  0.1794% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.80 +/- 2.16   0.004% *  0.1713% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.41 +/- 1.81   0.004% *  0.1713% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.80 +/- 1.15   0.001% *  0.1627% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.71 +/- 1.38   0.001% *  0.0623% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.79 +/- 1.47   0.000% *  0.1872% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.97 +/- 2.23   0.000% *  0.1944% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.68 +/- 1.12   0.001% *  0.0346% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.37:
          QD    PHE   97 - HN    VAL  107   5.38 +/- 1.29  98.490% * 98.5222% (0.87   1.50   2.37) =  99.982%  kept
          HZ3   TRP   87 - HN    VAL  107  12.77 +/- 2.57   1.398% *  1.2126% (0.80   0.02   0.02) =   0.017%
          HE3   TRP   49 - HN    VAL  107  19.21 +/- 1.59   0.111% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 9 structures by 1.21 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.9:
      O   HA    LYS+ 106 - HN    VAL  107   2.26 +/- 0.08 100.000% *100.0000% (0.98  10.0   4.58  26.94) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 60.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.798% * 99.7406% (0.95  10.0   3.66  60.20) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.84 +/- 1.10   0.174% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  12.67 +/- 1.59   0.020% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.01 +/- 0.96   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.67 +/- 1.77   0.005% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.47, residual support = 55.8:
          QD    PHE   97 - HN    ASP- 105   3.50 +/- 0.76  99.764% * 99.5903% (0.87   5.47  55.82) =  99.999%  kept
          HZ3   TRP   87 - HN    ASP- 105  12.19 +/- 4.49   0.235% *  0.3362% (0.80   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    ASP- 105  25.45 +/- 1.67   0.001% *  0.0735% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.274, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   5.21 +/- 1.89  90.833% * 19.2756% (0.26   0.02   0.02) =  87.477%  kept
          HA    MET   92 - HN    GLY  109   8.16 +/- 2.36   8.555% * 25.3346% (0.34   0.02   0.02) =  10.829%  kept
          HA    LYS+  74 - HN    GLY  109  14.44 +/- 1.64   0.612% * 55.3898% (0.74   0.02   0.02) =   1.694%  kept
    Distance limit 4.29 A violated in 5 structures by 1.04 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 = 0.498, support = 2.22, residual support = 8.25:
      O   HA    VAL  108 - HN    GLY  109   2.22 +/- 0.03  75.730% * 31.6430% (0.34  10.0   2.33   7.56) =  59.189%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.74 +/- 0.25  24.258% * 68.1141% (0.73  10.0   2.07   9.25) =  40.811%  kept
          HA    CYS   50 - HN    GLY  109  12.52 +/- 2.96   0.006% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.32 +/- 2.46   0.006% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.65 +/- 2.61   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  21.20 +/- 1.65   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.72 +/- 0.94   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.12:
          HN    LYS+ 111 - HN    ALA  110   3.13 +/- 0.67  98.245% * 97.3113% (0.90   3.04   9.12) =  99.987%  kept
          HN    ILE   56 - HN    ALA  110   8.75 +/- 3.28   1.712% *  0.6989% (0.98   0.02   4.43) =   0.013%
          HN    LEU   63 - HN    ALA  110  13.69 +/- 2.47   0.031% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  17.65 +/- 2.36   0.005% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  17.98 +/- 1.90   0.004% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  22.91 +/- 2.21   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  31.08 +/- 2.06   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.69, support = 2.04, residual support = 6.23:
      O   HA1   GLY  109 - HN    ALA  110   3.38 +/- 0.38  67.045% * 93.8842% (0.69  10.0   2.07   6.42) =  97.077%  kept
          HA    VAL  108 - HN    ALA  110   4.39 +/- 1.12  32.813% *  5.7754% (0.80   1.0   1.06   0.02) =   2.923%  kept
          HA    CYS   50 - HN    ALA  110  11.91 +/- 3.50   0.074% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  12.59 +/- 3.02   0.059% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  16.14 +/- 3.22   0.008% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.01 +/- 2.37   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.43 +/- 0.26  98.867% * 98.1886% (0.18  10.0   2.74   9.59) =  99.995%  kept
          HA    ALA   91 - HN    ALA  110   9.23 +/- 2.86   0.416% *  0.5594% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL  107 - HN    ALA  110   6.81 +/- 1.01   0.279% *  0.5304% (0.95   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HN    ALA  110   9.80 +/- 3.87   0.438% *  0.1912% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    ALA  110  21.54 +/- 2.16   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 28.1:
        T HN    LYS+ 112 - HN    LYS+ 111   4.40 +/- 0.13  99.818% * 99.8172% (0.99 10.00   5.35  28.14) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.07 +/- 1.99   0.141% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  18.89 +/- 1.90   0.020% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.80 +/- 2.20   0.021% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.08 +/- 2.46   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.40 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   3.13 +/- 0.67  99.901% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.49 +/- 1.90   0.099% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.81, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.72 +/- 1.70  45.877% * 58.2608% (1.00   0.02   0.02) =  70.514%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.24 +/- 1.51  32.996% * 19.8732% (0.34   0.02   0.02) =  17.299%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.22 +/- 1.05  21.127% * 21.8659% (0.38   0.02   0.02) =  12.187%  kept
    Distance limit 4.36 A violated in 20 structures by 5.58 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   2.88 +/- 0.34  97.922% * 99.3312% (0.45  10.0   3.04   9.12) =  99.996%  kept
          HA    VAL  107 - HN    LYS+ 111   6.26 +/- 1.10   1.898% *  0.2138% (0.97   1.0   0.02   0.02) =   0.004%
          HA    ALA   91 - HN    LYS+ 111  11.30 +/- 2.31   0.093% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111  10.48 +/- 2.70   0.076% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  14.46 +/- 1.89   0.011% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.83 +/- 1.93   0.001% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.13 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   2.35 +/- 0.21  99.966% * 99.8075% (0.53  10.0   7.10  28.14) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.57 +/- 0.90   0.032% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.48 +/- 2.77   0.002% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.7, residual support = 23.3:
        T HN    GLU- 114 - HN    ASP- 113   2.59 +/- 0.16  97.092% * 99.7300% (0.81 10.00   4.70  23.34) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.77 +/- 0.28   2.737% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.63 +/- 0.44   0.159% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  11.94 +/- 1.11   0.012% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.04 +/- 2.06   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 = 4.7, residual support = 23.3:
        T HN    ASP- 113 - HN    GLU- 114   2.59 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.70  23.34) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.64, residual support = 43.8:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.04  96.966% * 99.6055% (0.97  10.0   3.64  43.81) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.05 +/- 0.10   3.005% *  0.0543% (0.53   1.0   0.02  16.07) =   0.002%
          HA    CYS   53 - HN    GLU- 114  11.77 +/- 1.68   0.028% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.23 +/- 0.94   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.45 +/- 1.09   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.38 +/- 1.09   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.46 +/- 0.98   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.08, residual support = 4.42:
          HA    LYS+ 111 - HN    ASP- 113   3.85 +/- 0.39  98.357% * 99.1605% (0.74   2.09   4.42) =  99.995%  kept
          HA    VAL  108 - HN    ASP- 113   9.87 +/- 1.28   1.409% *  0.2734% (0.21   0.02   0.02) =   0.004%
          HA    PRO   52 - HN    ASP- 113  12.82 +/- 2.13   0.212% *  0.3740% (0.29   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.09 +/- 2.55   0.022% *  0.1920% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.31, residual support = 13.9:
      O   HA    ASP- 113 - HN    ASP- 113   2.78 +/- 0.05  99.866% * 99.6702% (0.85  10.0   3.31  13.92) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.60 +/- 1.72   0.094% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.98 +/- 1.19   0.036% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.51 +/- 0.59   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.18 +/- 1.74   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.59 +/- 2.10   0.001% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.23 +/- 1.67   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.911, support = 7.29, residual support = 78.9:
        T HN    GLN  116 - HN    LEU  115   2.76 +/- 0.07  35.246% * 85.3172% (0.99 10.00   7.93  97.96) =  76.695%  kept
          HN    GLU- 114 - HN    LEU  115   2.50 +/- 0.11  63.017% * 14.4983% (0.65  1.00   5.21  16.07) =  23.302%  kept
          HN    THR  118 - HN    LEU  115   4.63 +/- 0.28   1.708% *  0.0814% (0.95  1.00   0.02   0.02) =   0.004%
          HN    PHE   60 - HN    LEU  115   9.25 +/- 0.74   0.028% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.84 +/- 1.78   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.22 +/- 1.07   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.93, residual support = 98.0:
        T HN    LEU  115 - HN    GLN  116   2.76 +/- 0.07  99.993% * 99.8619% (0.98 10.00   7.93  97.96) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  14.09 +/- 1.98   0.007% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  33.13 +/- 1.91   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.46, residual support = 27.6:
        T HN    SER  117 - HN    GLN  116   2.67 +/- 0.15  99.999% * 99.8966% (0.97 10.00   5.46  27.55) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.10 +/- 1.90   0.001% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  26.65 +/- 1.46   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 4.24, residual support = 17.2:
        T HN    GLN  116 - HN    SER  117   2.67 +/- 0.15  51.560% * 50.9371% (0.99 10.00   5.46  27.55) =  53.728%  kept
        T HN    THR  118 - HN    SER  117   2.72 +/- 0.13  46.526% * 48.6147% (0.95 10.00   2.84   5.27) =  46.271%  kept
          HN    GLU- 114 - HN    SER  117   4.63 +/- 0.18   1.903% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.08 +/- 0.78   0.011% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.77 +/- 2.53   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.52 +/- 1.56   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.89, residual support = 114.3:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.994% * 99.8027% (0.95  10.0   1.89 114.26) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.68 +/- 1.45   0.006% *  0.1076% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.57 +/- 1.89   0.000% *  0.0587% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.72 +/- 3.50   0.000% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.89, residual support = 114.3:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.346% * 99.7477% (0.90  10.0 10.00   1.89 114.26) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   5.19 +/- 1.05   0.651% *  0.1090% (0.98   1.0  1.00   0.02   0.53) =   0.001%
          HN    ALA   57 - HE22  GLN  116  13.43 +/- 1.70   0.001% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  10.58 +/- 1.38   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  24.20 +/- 4.24   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.85 +/- 0.22  96.720% * 91.8913% (1.00   0.75   1.50) =  99.945%  kept
          HA    PHE   59 - HN    GLN  116   7.80 +/- 1.01   1.933% *  1.4896% (0.61   0.02   0.59) =   0.032%
          HA    ILE   56 - HN    GLN  116   8.29 +/- 0.84   1.218% *  1.4896% (0.61   0.02   0.02) =   0.020%
          HA    LEU  123 - HN    GLN  116  12.00 +/- 0.63   0.117% *  1.1954% (0.49   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    GLN  116  20.46 +/- 2.32   0.006% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  20.50 +/- 1.54   0.005% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  27.54 +/- 2.18   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.97, residual support = 114.3:
      O   HA    GLN  116 - HN    GLN  116   2.78 +/- 0.05  99.995% * 99.5202% (1.00  10.0   6.97 114.26) = 100.000%  kept
          HA    VAL   18 - HN    GLN  116  17.86 +/- 1.49   0.002% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN  116  19.56 +/- 2.34   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.77 +/- 1.94   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.70 +/- 1.76   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.71 +/- 2.53   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.25 +/- 1.98   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.26 +/- 1.47   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.61 +/- 1.59   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.953, support = 7.36, residual support = 200.1:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.03  81.697% * 60.5049% (1.00  10.0   7.71 226.85) =  87.325%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.04  18.290% * 39.2280% (0.65  10.0   4.94  16.07) =  12.675%  kept
          HA    ARG+  54 - HN    LEU  115  12.75 +/- 1.04   0.010% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.37 +/- 0.54   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.37 +/- 1.34   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.90 +/- 1.50   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.13 +/- 1.04   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.58 +/- 2.03   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.76 +/- 1.02   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.6, residual support = 15.2:
      O   HA    SER  117 - HN    SER  117   2.76 +/- 0.03  99.993% * 99.4282% (0.38  10.0   3.60  15.24) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.92 +/- 1.04   0.007% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  28.92 +/- 1.49   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.69 +/- 1.72   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 55.8:
        T HN    ILE  119 - HN    ALA  120   2.60 +/- 0.07  99.999% * 99.2864% (0.83 10.00   5.59  55.80) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.13 +/- 1.73   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  21.73 +/- 1.50   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.70 +/- 3.81   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.73, residual support = 50.4:
          HN    HIS  122 - HN    LYS+ 121   2.70 +/- 0.03  99.666% * 99.4538% (0.80   6.73  50.44) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   7.53 +/- 1.12   0.321% *  0.0737% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.46 +/- 1.25   0.013% *  0.1794% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  22.11 +/- 3.81   0.001% *  0.2931% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.32, residual support = 31.1:
          HN    LEU  123 - HN    HIS  122   2.17 +/- 0.13  99.873% * 99.5365% (0.26   5.32  31.06) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.63 +/- 0.11   0.127% *  0.1285% (0.09   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  23.06 +/- 3.31   0.001% *  0.1591% (0.11   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.72 +/- 3.01   0.000% *  0.1758% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.32, residual support = 31.1:
          HN    HIS  122 - HN    LEU  123   2.17 +/- 0.13  99.973% * 99.0452% (0.87   5.32  31.06) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   9.18 +/- 1.06   0.025% *  0.2259% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.40 +/- 1.00   0.002% *  0.3851% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  23.79 +/- 4.32   0.000% *  0.3438% (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 = 4.2, residual support = 12.8:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.994% * 99.5133% (1.00  10.0   4.20  12.84) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  19.17 +/- 6.50   0.001% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  17.85 +/- 1.90   0.001% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  18.47 +/- 6.52   0.002% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.17 +/- 0.63   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.99 +/- 1.21   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  20.25 +/- 5.39   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  25.65 +/- 6.53   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.53 +/- 5.41   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.83, residual support = 9.31:
      O   HA    ALA  124 - HN    ALA  124   2.71 +/- 0.26  99.993% * 99.5779% (1.00  10.0   1.83   9.31) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.53 +/- 0.65   0.005% *  0.0489% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.35 +/- 2.74   0.001% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  23.14 +/- 6.25   0.001% *  0.0337% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  28.28 +/- 6.80   0.000% *  0.0749% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  24.01 +/- 5.84   0.000% *  0.0191% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  28.69 +/- 4.36   0.000% *  0.0531% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.04 +/- 3.23   0.000% *  0.0873% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.1:
      O   HA    HIS  122 - HN    LEU  123   3.40 +/- 0.06  99.978% * 99.8702% (1.00  10.0   4.26  31.06) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  16.82 +/- 4.82   0.017% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.19 +/- 1.87   0.003% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  21.78 +/- 2.08   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 200.5:
      O   HA    LEU  123 - HN    LEU  123   2.84 +/- 0.04  99.954% * 99.5133% (1.00  10.0   5.95 200.50) = 100.000%  kept
          HA    ILE   56 - HN    LEU  123  15.00 +/- 1.72   0.008% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    LEU  123  16.80 +/- 5.85   0.008% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  12.67 +/- 0.43   0.013% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  16.43 +/- 5.77   0.010% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  15.13 +/- 1.14   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  23.98 +/- 5.64   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  20.02 +/- 4.04   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.21 +/- 3.96   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.66, residual support = 68.5:
          HD2   HIS  122 - HN    HIS  122   3.16 +/- 0.37  99.707% * 97.2085% (0.11   6.66  68.54) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   8.70 +/- 1.00   0.290% *  0.3225% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  21.55 +/- 2.77   0.001% *  0.9266% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  24.74 +/- 3.58   0.001% *  0.7224% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  30.48 +/- 4.23   0.000% *  0.8200% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 5.24, residual support = 68.5:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.02  99.986% * 99.8131% (0.30  10.0   5.24  68.54) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  15.45 +/- 4.67   0.012% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.54 +/- 1.74   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 5.67, residual support = 234.2:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.77 +/- 0.01  80.543% * 38.4533% (0.49  10.0   6.32 314.63) =  74.239%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.03  17.564% * 61.1842% (0.77  10.0   3.78   2.49) =  25.760%  kept
          QB    SER  117 - HN    LYS+ 121   5.26 +/- 0.40   1.885% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.74 +/- 2.36   0.003% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.65 +/- 1.36   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  19.19 +/- 2.90   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.29 +/- 2.50   0.001% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  23.44 +/- 1.92   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  22.99 +/- 2.38   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.58 +/- 1.73   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  23.92 +/- 1.67   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  26.71 +/- 3.88   0.000% *  0.0111% (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 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.739, support = 3.61, residual support = 14.6:
      O   HA    ALA  120 - HN    ALA  120   2.75 +/- 0.05  95.490% * 99.2369% (0.74  10.0   3.61  14.59) =  99.999%  kept
          HA    LYS+ 121 - HN    ALA  120   5.23 +/- 0.14   2.102% *  0.0465% (0.35   1.0   0.02   2.49) =   0.001%
          QB    SER  117 - HN    ALA  120   5.10 +/- 0.13   2.395% *  0.0168% (0.12   1.0   0.02   6.83) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.91 +/- 2.10   0.005% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.79 +/- 2.60   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.36 +/- 1.21   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  19.77 +/- 2.47   0.002% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.16 +/- 2.45   0.001% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  22.44 +/- 2.07   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.66 +/- 1.49   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  24.05 +/- 1.40   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  23.64 +/- 2.36   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.76 +/- 3.15   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.3, residual support = 12.8:
          HB2   LEU  123 - HN    ALA  124   4.14 +/- 0.24  99.052% * 96.2886% (0.76   4.30  12.84) =  99.996%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.55 +/- 0.19   0.690% *  0.4259% (0.73   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    ALA  124  21.77 +/- 5.74   0.090% *  0.5548% (0.95   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    ALA  124  14.40 +/- 3.28   0.107% *  0.4482% (0.76   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA  124  21.32 +/- 6.87   0.021% *  0.5548% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  22.10 +/- 2.46   0.010% *  0.4697% (0.80   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.22 +/- 2.88   0.009% *  0.2201% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.52 +/- 1.32   0.006% *  0.2855% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.70 +/- 4.34   0.007% *  0.1463% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.45 +/- 2.90   0.008% *  0.1161% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  29.96 +/- 3.16   0.001% *  0.4899% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.20 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.83, residual support = 9.31:
      O   QB    ALA  124 - HN    ALA  124   2.31 +/- 0.34  99.974% * 98.5678% (0.65  10.0   1.83   9.31) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.95 +/- 3.63   0.013% *  0.0625% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.41 +/- 4.86   0.004% *  0.0942% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.62 +/- 3.40   0.003% *  0.0942% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  23.94 +/- 6.14   0.001% *  0.1143% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  20.84 +/- 4.91   0.001% *  0.1272% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  19.16 +/- 3.11   0.001% *  0.1444% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.51 +/- 1.40   0.001% *  0.1272% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.29 +/- 2.53   0.001% *  0.0810% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  20.87 +/- 2.11   0.000% *  0.1493% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.28 +/- 4.48   0.000% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  24.90 +/- 2.33   0.000% *  0.1444% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  26.12 +/- 5.65   0.000% *  0.0810% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  22.98 +/- 4.66   0.000% *  0.0292% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  27.46 +/- 4.84   0.000% *  0.0292% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.82 +/- 3.49   0.000% *  0.0463% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.982, support = 3.48, residual support = 23.6:
          HA    ALA  120 - HN    LEU  123   2.76 +/- 0.15  88.607% * 66.7454% (0.99   3.57  24.92) =  94.392%  kept
          HA    LYS+ 121 - HN    LEU  123   3.94 +/- 0.10  11.266% * 31.1861% (0.84   1.98   2.19) =   5.607%  kept
          QB    SER  117 - HN    LEU  123   8.41 +/- 0.30   0.115% *  0.1836% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  14.38 +/- 3.17   0.007% *  0.2592% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  17.53 +/- 3.91   0.002% *  0.2883% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.07 +/- 1.54   0.001% *  0.3384% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  24.58 +/- 2.92   0.001% *  0.2883% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  24.89 +/- 2.43   0.000% *  0.3641% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.14 +/- 3.20   0.002% *  0.0582% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.56 +/- 1.93   0.000% *  0.2883% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 4.68, residual support = 30.7:
          HB3   HIS  122 - HN    LEU  123   3.93 +/- 0.40  92.633% * 84.6211% (0.99   4.74  31.06) =  98.606%  kept
          QE    LYS+ 121 - HN    LEU  123   6.59 +/- 0.98   7.361% * 15.0543% (0.76   1.09   2.19) =   1.394%  kept
          HG2   GLN   30 - HN    LEU  123  24.28 +/- 3.81   0.004% *  0.1003% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  28.37 +/- 2.41   0.001% *  0.1755% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  28.32 +/- 3.74   0.001% *  0.0488% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 200.5:
          HG    LEU  123 - HN    LEU  123   3.54 +/- 0.18  95.374% * 96.6341% (0.76   5.52 200.50) =  99.991%  kept
          HG3   PRO   68 - HN    LEU  123  12.20 +/- 5.90   0.794% *  0.3977% (0.87   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU  123   8.32 +/- 3.63   3.074% *  0.0907% (0.20   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU  123  11.29 +/- 5.42   0.495% *  0.3504% (0.76   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU  123  18.24 +/- 4.96   0.112% *  0.3830% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU  123  13.40 +/- 2.19   0.052% *  0.2056% (0.45   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  18.07 +/- 5.11   0.043% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.85 +/- 2.87   0.007% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  18.56 +/- 4.83   0.013% *  0.1564% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.18 +/- 1.85   0.029% *  0.0621% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  21.84 +/- 2.51   0.004% *  0.3671% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  22.41 +/- 4.14   0.003% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  25.44 +/- 2.11   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  27.63 +/- 2.15   0.001% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.85, residual support = 200.5:
      O   HB2   LEU  123 - HN    LEU  123   2.25 +/- 0.27  98.919% * 99.1788% (0.76  10.0   5.85 200.50) =  99.999%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.06 +/- 0.15   1.072% *  0.0942% (0.73   1.0   0.02   2.19) =   0.001%
          QD    LYS+ 102 - HN    LEU  123  19.19 +/- 5.28   0.003% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    LEU  123  14.27 +/- 2.32   0.003% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.42 +/- 2.39   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  20.36 +/- 5.90   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.50 +/- 1.20   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.55 +/- 2.45   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.29 +/- 3.69   0.000% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  18.91 +/- 2.20   0.000% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.66 +/- 2.54   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.38, residual support = 200.5:
          QD1   LEU  123 - HN    LEU  123   2.25 +/- 0.22  97.137% * 98.8092% (0.90   6.38 200.50) =  99.998%  kept
          QD2   LEU  123 - HN    LEU  123   4.20 +/- 0.09   2.486% *  0.0533% (0.15   0.02 200.50) =   0.001%
          QG1   VAL   70 - HN    LEU  123  10.43 +/- 4.91   0.223% *  0.2371% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU  123  15.77 +/- 5.12   0.054% *  0.3096% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.34 +/- 3.86   0.085% *  0.0533% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123  13.07 +/- 5.44   0.013% *  0.3422% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  14.84 +/- 2.18   0.002% *  0.1954% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.239, support = 6.52, residual support = 36.2:
      O   HA    LYS+ 121 - HN    HIS  122   3.52 +/- 0.04  55.008% * 65.7398% (0.20  10.0   6.68  50.44) =  70.810%  kept
          HA    ALA  120 - HN    HIS  122   3.66 +/- 0.23  44.370% * 33.5967% (0.33   1.0   6.12   1.78) =  29.190%  kept
          QB    SER  117 - HN    HIS  122   7.54 +/- 0.31   0.583% *  0.0290% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  14.08 +/- 2.82   0.022% *  0.1072% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  17.25 +/- 3.46   0.007% *  0.1121% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.28 +/- 1.53   0.004% *  0.0751% (0.23   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  21.97 +/- 2.68   0.002% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  23.68 +/- 1.93   0.001% *  0.0887% (0.27   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.59 +/- 2.49   0.001% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  24.97 +/- 1.97   0.000% *  0.1121% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  25.54 +/- 4.70   0.001% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.66 +/- 1.91   0.001% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.266, support = 5.42, residual support = 16.7:
          HA    ILE  119 - HN    HIS  122   3.48 +/- 0.27  90.691% * 57.2548% (0.27   5.44  17.71) =  93.009%  kept
          HA    THR  118 - HN    HIS  122   5.23 +/- 0.22   9.267% * 42.1159% (0.21   5.05   2.63) =   6.991%  kept
          HD3   PRO   58 - HN    HIS  122  14.48 +/- 1.42   0.022% *  0.0765% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  16.47 +/- 2.18   0.014% *  0.0849% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.34 +/- 2.28   0.002% *  0.1448% (0.19   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  26.21 +/- 2.94   0.001% *  0.1890% (0.24   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  23.09 +/- 2.22   0.001% *  0.1340% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.35, residual support = 68.5:
      O   HB2   HIS  122 - HN    HIS  122   3.16 +/- 0.68  97.727% * 99.5910% (0.11  10.0   5.35  68.54) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   8.73 +/- 3.38   2.234% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  12.77 +/- 0.71   0.039% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  26.80 +/- 2.21   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.325, support = 6.0, residual support = 68.3:
      O   HB3   HIS  122 - HN    HIS  122   2.98 +/- 0.43  93.030% * 82.6471% (0.33  10.0   5.99  68.54) =  98.458%  kept
          QE    LYS+ 121 - HN    HIS  122   5.45 +/- 0.91   6.968% * 17.2793% (0.21   1.0   6.36  50.44) =   1.542%  kept
          HB3   ASP-  78 - HN    HIS  122  26.89 +/- 1.87   0.000% *  0.0579% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  22.87 +/- 3.71   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.318, support = 7.2, residual support = 48.5:
          HB2   LYS+ 121 - HN    HIS  122   3.34 +/- 0.24  76.408% * 72.2524% (0.33   7.41  50.44) =  89.813%  kept
          HB2   LEU  123 - HN    HIS  122   4.15 +/- 0.38  23.503% * 26.6421% (0.17   5.31  31.06) =  10.187%  kept
          QD    LYS+  65 - HN    HIS  122  14.11 +/- 2.10   0.019% *  0.1989% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  17.88 +/- 5.21   0.019% *  0.1496% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  16.99 +/- 2.16   0.010% *  0.1084% (0.19   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  19.58 +/- 5.57   0.005% *  0.2042% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.23 +/- 1.02   0.015% *  0.0361% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.53 +/- 2.09   0.005% *  0.0847% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.32 +/- 1.27   0.006% *  0.0514% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.97 +/- 1.44   0.005% *  0.0318% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.07 +/- 2.00   0.004% *  0.0361% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  24.91 +/- 2.53   0.001% *  0.2042% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.3, support = 6.46, residual support = 50.4:
          HB3   LYS+ 121 - HN    HIS  122   3.89 +/- 0.35  60.554% * 67.2291% (0.35   6.27  50.44) =  76.883%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.54 +/- 1.24  38.503% * 31.7875% (0.15   7.07  50.44) =  23.114%  kept
          QD    LYS+  66 - HN    HIS  122   9.83 +/- 3.49   0.780% *  0.1751% (0.28   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    HIS  122  13.32 +/- 5.56   0.110% *  0.2143% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  14.55 +/- 1.11   0.019% *  0.2018% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.63 +/- 2.30   0.023% *  0.0746% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  17.87 +/- 1.61   0.006% *  0.1961% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.96 +/- 2.46   0.002% *  0.0608% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  23.42 +/- 4.53   0.002% *  0.0608% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.36, residual support = 31.1:
          QD1   LEU  123 - HN    HIS  122   3.12 +/- 0.34  95.601% * 98.4998% (0.31   6.36  31.06) =  99.987%  kept
          QG1   VAL   70 - HN    HIS  122   9.83 +/- 4.49   1.810% *  0.3537% (0.35   0.02   0.02) =   0.007%
          HB3   LEU   63 - HN    HIS  122   8.29 +/- 3.67   2.034% *  0.2308% (0.23   0.02   0.02) =   0.005%
          QD1   LEU   71 - HN    HIS  122  15.00 +/- 4.85   0.248% *  0.3095% (0.31   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    HIS  122  11.51 +/- 5.44   0.259% *  0.1877% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    HIS  122  13.82 +/- 2.09   0.020% *  0.3560% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  13.85 +/- 1.70   0.028% *  0.0625% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.548, support = 3.04, residual support = 5.12:
          HA    THR  118 - HN    LYS+ 121   3.55 +/- 0.24  67.077% * 33.5402% (0.49   2.40   5.81) =  51.140%  kept
          HA    ILE  119 - HN    LYS+ 121   4.02 +/- 0.15  32.863% * 65.4068% (0.61   3.72   4.40) =  48.860%  kept
          HA2   GLY  109 - HN    LYS+ 121  14.87 +/- 2.17   0.036% *  0.1421% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    LYS+ 121  14.27 +/- 1.29   0.021% *  0.1280% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  25.67 +/- 2.88   0.001% *  0.3164% (0.55   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.79 +/- 1.82   0.001% *  0.2423% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  22.81 +/- 1.95   0.001% *  0.2242% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 6.73, residual support = 314.6:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.33 +/- 0.39  97.773% * 99.3852% (0.76  10.0   6.73 314.63) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.83 +/- 0.42   2.194% *  0.0511% (0.39   1.0   0.02   2.19) =   0.001%
          HG3   PRO   93 - HN    LYS+ 121  15.95 +/- 2.48   0.014% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  18.08 +/- 4.49   0.004% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  15.39 +/- 1.78   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  20.86 +/- 4.80   0.001% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.17 +/- 1.25   0.003% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.28 +/- 0.95   0.003% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.09 +/- 2.25   0.003% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.11 +/- 1.85   0.001% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.79 +/- 1.45   0.002% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.96 +/- 2.00   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.447, support = 4.84, residual support = 169.4:
          HD2   LYS+ 121 - HN    LYS+ 121   3.90 +/- 0.78  19.088% * 81.8169% (0.64   5.98 314.63) =  53.467%  kept
          QB    ALA  120 - HN    LYS+ 121   2.80 +/- 0.12  80.772% * 16.8280% (0.22   3.54   2.49) =  46.533%  kept
          HG    LEU  115 - HN    LYS+ 121   9.49 +/- 0.94   0.072% *  0.0950% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 121  11.24 +/- 2.82   0.048% *  0.1405% (0.33   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  14.80 +/- 4.70   0.016% *  0.1664% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  16.02 +/- 1.95   0.003% *  0.2965% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.41 +/- 2.16   0.001% *  0.3411% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.83 +/- 1.97   0.000% *  0.3155% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 5.92, residual support = 314.6:
          HG2   LYS+ 121 - HN    LYS+ 121   3.96 +/- 0.38  89.585% * 99.0777% (0.77   5.92 314.63) =  99.980%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.33 +/- 1.78   3.955% *  0.3439% (0.79   0.02   0.02) =   0.015%
          HG13  ILE  119 - HN    LYS+ 121   6.30 +/- 0.29   6.357% *  0.0687% (0.16   0.02   4.40) =   0.005%
          HG13  ILE  103 - HN    LYS+ 121  15.38 +/- 4.31   0.093% *  0.2245% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  19.96 +/- 1.43   0.006% *  0.2245% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  23.16 +/- 3.69   0.003% *  0.0608% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.19 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   4.43 +/- 0.12  84.325% * 90.0597% (0.72   2.20   2.19) =  99.168%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.46 +/- 0.13   8.856% *  6.9381% (0.12   0.99   2.19) =   0.802%  kept
          HB3   LEU  104 - HN    LYS+ 121  11.66 +/- 4.80   0.853% *  0.9030% (0.79   0.02   0.02) =   0.010%
          HB3   LEU   63 - HN    LYS+ 121   9.15 +/- 3.27   4.673% *  0.1406% (0.12   0.02   0.02) =   0.009%
          QG1   VAL   70 - HN    LYS+ 121  11.45 +/- 3.73   0.872% *  0.6258% (0.55   0.02   0.02) =   0.007%
          QD1   LEU   71 - HN    LYS+ 121  16.48 +/- 4.30   0.342% *  0.8170% (0.72   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LYS+ 121  14.69 +/- 1.81   0.079% *  0.5158% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.28 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.04, residual support = 55.8:
          HB    ILE  119 - HN    ALA  120   2.57 +/- 0.10  99.947% * 97.4780% (0.90   5.04  55.80) = 100.000%  kept
          HB    VAL  108 - HN    ALA  120  13.99 +/- 1.60   0.017% *  0.3299% (0.77   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.44 +/- 1.13   0.017% *  0.1219% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  13.66 +/- 2.03   0.010% *  0.1771% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  15.97 +/- 3.83   0.004% *  0.2395% (0.56   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.10 +/- 2.52   0.003% *  0.3018% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  22.89 +/- 4.36   0.000% *  0.3941% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.00 +/- 2.56   0.000% *  0.3871% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.98 +/- 2.76   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.51 +/- 2.77   0.000% *  0.3736% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  19.36 +/- 1.93   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.08, residual support = 14.6:
      O   QB    ALA  120 - HN    ALA  120   2.11 +/- 0.05  99.611% * 99.1734% (0.49  10.0   4.08  14.59) = 100.000%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.10 +/- 0.99   0.297% *  0.0992% (0.49   1.0   0.02   2.49) =   0.000%
          HG    LEU  115 - HN    ALA  120   7.64 +/- 0.99   0.064% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  10.51 +/- 2.71   0.017% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  13.52 +/- 4.10   0.008% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  16.06 +/- 4.07   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.87 +/- 1.73   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  18.81 +/- 1.95   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.83 +/- 1.73   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 55.8:
          QG2   ILE  119 - HN    ALA  120   3.44 +/- 0.21  99.142% * 96.6193% (0.49   5.63  55.80) =  99.995%  kept
          QD1   LEU   67 - HN    ALA  120  11.11 +/- 3.26   0.628% *  0.5220% (0.74   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    ALA  120  12.36 +/- 3.45   0.097% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  13.12 +/- 2.97   0.070% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  15.22 +/- 3.08   0.037% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.54 +/- 3.15   0.018% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.00 +/- 1.47   0.004% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  19.61 +/- 2.08   0.004% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 15.2:
      O   QB    SER  117 - HN    SER  117   2.17 +/- 0.06  99.865% * 97.2780% (0.25  10.0   2.79  15.24) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.06 +/- 0.30   0.088% *  0.3690% (0.95   1.0   0.02   6.83) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.04 +/- 0.56   0.044% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.77 +/- 1.15   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.59 +/- 1.21   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.95 +/- 1.85   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.66 +/- 1.75   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.53 +/- 1.86   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.29 +/- 1.75   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.31 +/- 1.65   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.16 +/- 1.69   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  29.04 +/- 1.85   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.364, support = 5.1, residual support = 27.6:
          HG3   GLN  116 - HN    SER  117   4.77 +/- 0.77  36.840% * 69.1688% (0.49   4.97  27.55) =  57.675%  kept
          HG2   GLN  116 - HN    SER  117   4.33 +/- 0.98  62.738% * 29.8052% (0.20   5.27  27.55) =  42.324%  kept
          HB3   PHE   95 - HN    SER  117  11.03 +/- 1.46   0.406% *  0.1425% (0.25   0.02   0.02) =   0.001%
          HB3   TRP   87 - HN    SER  117  18.86 +/- 1.83   0.015% *  0.3235% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.56 +/- 0.93   0.000% *  0.5600% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.29 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 27.6:
          HB2   GLN  116 - HN    SER  117   3.17 +/- 0.26  99.942% * 98.7647% (0.97   4.86  27.55) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  13.41 +/- 2.27   0.032% *  0.4214% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  13.34 +/- 1.40   0.025% *  0.3060% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  23.48 +/- 2.41   0.001% *  0.3779% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.41 +/- 1.30   0.000% *  0.1301% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.04, residual support = 114.3:
          HG2   GLN  116 - HN    GLN  116   3.56 +/- 0.43  99.732% * 99.4065% (0.73   7.04 114.26) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116  10.55 +/- 1.61   0.268% *  0.3113% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.95 +/- 1.19   0.000% *  0.2823% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.58, residual support = 114.3:
      O   HB2   GLN  116 - HN    GLN  116   2.09 +/- 0.08  99.993% * 99.6757% (0.98  10.0   7.58 114.26) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  11.26 +/- 1.31   0.006% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  14.07 +/- 2.07   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.46 +/- 2.12   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.34 +/- 1.38   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.65 +/- 1.73   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.24, residual support = 93.8:
          HB2   LEU  115 - HN    GLN  116   3.22 +/- 0.53  88.785% * 68.2998% (0.80   7.39  97.96) =  95.708%  kept
          QB    GLU- 114 - HN    GLN  116   5.14 +/- 0.33   8.829% * 30.7924% (0.69   3.89   0.29) =   4.291%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.54 +/- 0.88   2.285% *  0.0356% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116  11.21 +/- 0.99   0.074% *  0.1927% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.51 +/- 1.99   0.011% *  0.0948% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  18.21 +/- 2.77   0.004% *  0.1927% (0.84   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  16.64 +/- 1.74   0.007% *  0.0457% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  20.97 +/- 1.64   0.002% *  0.1763% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.24 +/- 1.59   0.002% *  0.0457% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.08 +/- 1.79   0.001% *  0.0457% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  31.25 +/- 1.35   0.000% *  0.0787% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.14 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.849, support = 8.11, residual support = 97.3:
          HG    LEU  115 - HN    GLN  116   3.59 +/- 1.20  55.403% * 39.6689% (0.73   8.29  97.96) =  50.754%  kept
          HB3   LEU  115 - HN    GLN  116   3.81 +/- 0.44  40.578% * 51.7819% (0.98   8.02  97.96) =  48.523%  kept
          QB    ALA  120 - HN    GLN  116   5.71 +/- 0.53   3.923% *  7.9801% (0.73   1.67   0.53) =   0.723%  kept
          QG    LYS+  66 - HN    GLN  116  11.57 +/- 1.33   0.059% *  0.0495% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  16.03 +/- 2.80   0.013% *  0.1318% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.79 +/- 2.63   0.006% *  0.1292% (0.98   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.92 +/- 2.85   0.006% *  0.0746% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.33 +/- 2.17   0.009% *  0.0293% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.84 +/- 2.43   0.004% *  0.0642% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.43 +/- 2.67   0.001% *  0.0905% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.58, residual support = 98.0:
          QD1   LEU  115 - HN    GLN  116   3.77 +/- 0.91  99.971% * 99.6291% (0.49   7.58  97.96) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.41 +/- 1.26   0.029% *  0.3709% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 9.96, residual support = 97.9:
          QD2   LEU  115 - HN    GLN  116   2.84 +/- 0.91  87.324% * 98.5845% (0.57   9.97  97.96) =  99.955%  kept
          QD1   LEU   63 - HN    GLN  116   7.22 +/- 1.79  10.372% *  0.3134% (0.90   0.02   0.02) =   0.038%
          QD2   LEU   63 - HN    GLN  116   8.39 +/- 1.77   2.267% *  0.2919% (0.84   0.02   0.02) =   0.008%
          QD1   LEU   73 - HN    GLN  116  17.18 +/- 2.49   0.007% *  0.3134% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  14.68 +/- 1.98   0.013% *  0.1079% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.91 +/- 1.51   0.006% *  0.0972% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.17 +/- 1.84   0.009% *  0.0539% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.17 +/- 1.11   0.002% *  0.1839% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.29 +/- 1.48   0.002% *  0.0539% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.05 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 1.45, residual support = 14.4:
          QD1   ILE  119 - HN    GLN  116   4.73 +/- 0.59  80.648% * 89.2824% (0.73   1.47  14.63) =  98.135%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.52 +/- 0.76  18.128% *  7.4345% (0.38   0.24   0.02) =   1.837%  kept
          QG2   VAL  108 - HN    GLN  116   9.81 +/- 0.68   1.137% *  1.6708% (1.00   0.02   0.02) =   0.026%
          HB2   LEU  104 - HN    GLN  116  15.51 +/- 2.17   0.087% *  1.6124% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.05 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   3.34 +/- 0.21  99.935% * 94.6610% (0.90   0.75   2.23) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  12.77 +/- 1.10   0.045% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.57 +/- 1.47   0.020% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 5.19, residual support = 97.9:
          HB2   GLN  116 - HN    LEU  115   4.62 +/- 0.10  99.088% * 95.7799% (0.22   5.19  97.96) =  99.991%  kept
          HB2   PRO   58 - HN    LEU  115  11.92 +/- 1.20   0.435% *  1.3274% (0.80   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU  115  13.51 +/- 2.06   0.278% *  0.7432% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  13.62 +/- 1.51   0.187% *  0.5655% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  24.05 +/- 1.35   0.005% *  0.2558% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  24.20 +/- 1.51   0.005% *  0.2558% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.90 +/- 0.86   0.001% *  1.0724% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.43 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.797, support = 7.29, residual support = 219.3:
      O   HB2   LEU  115 - HN    LEU  115   2.28 +/- 0.34  81.332% * 82.4114% (0.80  10.0   7.38 226.85) =  96.440%  kept
          QB    GLU- 114 - HN    LEU  115   3.19 +/- 0.42  14.396% * 17.1836% (0.69   1.0   4.86  16.07) =   3.559%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.39 +/- 1.07   4.264% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  11.62 +/- 0.97   0.006% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.18 +/- 1.41   0.001% *  0.0423% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.28 +/- 1.97   0.000% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  20.60 +/- 1.05   0.000% *  0.0787% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  16.60 +/- 1.21   0.001% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  20.55 +/- 1.16   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.56 +/- 1.25   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  30.15 +/- 0.97   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 7.46, residual support = 226.8:
      O   HB3   LEU  115 - HN    LEU  115   3.06 +/- 0.50  63.886% * 78.0969% (0.98  10.0   7.46 226.85) =  86.635%  kept
          HG    LEU  115 - HN    LEU  115   3.64 +/- 0.81  35.796% * 21.5012% (0.73   1.0   7.43 226.85) =  13.365%  kept
          QB    ALA  120 - HN    LEU  115   7.57 +/- 0.40   0.296% *  0.0579% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.78 +/- 0.96   0.011% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.66 +/- 2.43   0.003% *  0.0797% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.74 +/- 1.99   0.002% *  0.0781% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.34 +/- 2.33   0.002% *  0.0451% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.94 +/- 1.74   0.001% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.97 +/- 1.40   0.002% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.77 +/- 2.14   0.000% *  0.0547% (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 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.521, support = 1.45, residual support = 7.17:
          QG2   VAL  107 - HN    LEU  115   3.94 +/- 1.11  74.027% * 56.3054% (0.53   1.50   7.25) =  94.091%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.77 +/- 1.10  22.041% *  6.0595% (0.15   0.55   2.23) =   3.015%  kept
          HG13  ILE  119 - HN    LEU  115   7.01 +/- 0.91   3.775% * 33.9199% (0.73   0.65   9.73) =   2.890%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.66 +/- 1.05   0.134% *  1.0907% (0.76   0.02   0.02) =   0.003%
          QB    ALA   20 - HN    LEU  115  18.70 +/- 0.84   0.008% *  1.4240% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  16.21 +/- 1.75   0.015% *  0.2202% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.31 +/- 1.29   0.001% *  0.9804% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.17 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.0, residual support = 226.8:
          QD2   LEU  115 - HN    LEU  115   3.73 +/- 0.46  96.478% * 98.8164% (0.65   9.00 226.85) =  99.996%  kept
          QD1   LEU   63 - HN    LEU  115   7.49 +/- 1.02   3.352% *  0.1047% (0.31   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    LEU  115  14.56 +/- 1.50   0.037% *  0.3043% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  12.63 +/- 1.00   0.078% *  0.1157% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  16.65 +/- 2.11   0.042% *  0.1047% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  19.51 +/- 1.08   0.006% *  0.3210% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.08 +/- 0.87   0.006% *  0.2331% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 226.8:
          QD1   LEU  115 - HN    LEU  115   3.58 +/- 0.67  99.974% * 99.6810% (0.80   7.38 226.85) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.20 +/- 0.92   0.026% *  0.3190% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.544, support = 6.73, residual support = 138.3:
      O   HB    ILE  103 - HN    ILE  103   2.11 +/- 0.08  88.393% * 65.0457% (0.53  10.0   6.72 138.30) =  93.568%  kept
          HG12  ILE  103 - HN    ILE  103   3.09 +/- 0.30  11.544% * 34.2349% (0.80   1.0   6.92 138.30) =   6.432%  kept
          HB    VAL   41 - HN    ILE  103   9.61 +/- 1.45   0.013% *  0.0800% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.09 +/- 0.79   0.018% *  0.0554% (0.45   1.0   0.02   2.59) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.45 +/- 1.33   0.030% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  18.61 +/- 3.29   0.001% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.19 +/- 1.45   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  21.20 +/- 4.26   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.79 +/- 1.39   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  20.40 +/- 2.22   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  25.54 +/- 2.07   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.92 +/- 0.95   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.49 +/- 1.73   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.48 +/- 1.85   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.3:
          HG13  ILE  103 - HN    ILE  103   4.09 +/- 0.15  99.296% * 98.5413% (0.65   6.22 138.30) =  99.998%  kept
          HG2   LYS+ 121 - HN    ILE  103  15.86 +/- 5.53   0.201% *  0.4730% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  12.80 +/- 0.67   0.113% *  0.4858% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  103  11.07 +/- 1.60   0.354% *  0.0858% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.09 +/- 0.99   0.010% *  0.3171% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.43 +/- 3.80   0.026% *  0.0970% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.24 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.803, support = 6.07, residual support = 138.3:
          QG2   ILE  103 - HN    ILE  103   3.50 +/- 0.13  41.736% * 70.5722% (1.00   6.29 138.30) =  64.379%  kept
          QD1   ILE  103 - HN    ILE  103   3.29 +/- 0.66  57.195% * 28.4899% (0.45   5.67 138.30) =  35.616%  kept
          QD2   LEU   40 - HN    ILE  103   7.26 +/- 0.87   1.017% *  0.2165% (0.97   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    ILE  103  13.97 +/- 1.90   0.020% *  0.2199% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.18 +/- 1.62   0.015% *  0.1270% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  16.39 +/- 3.51   0.010% *  0.0624% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  15.44 +/- 1.64   0.006% *  0.0922% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  20.04 +/- 1.14   0.001% *  0.2199% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 7.46, residual support = 218.3:
          HG    LEU  104 - HN    LEU  104   3.03 +/- 0.37  97.673% * 97.6268% (0.45   7.46 218.35) =  99.990%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.37 +/- 0.85   2.130% *  0.4012% (0.69   0.02   0.02) =   0.009%
          HB3   LYS+ 121 - HN    LEU  104  11.24 +/- 5.14   0.180% *  0.2618% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  17.36 +/- 1.81   0.004% *  0.5789% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  16.62 +/- 2.48   0.007% *  0.3307% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.38 +/- 1.26   0.004% *  0.3542% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.68 +/- 0.86   0.001% *  0.4463% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.281, support = 7.01, residual support = 128.5:
      O   HB2   LEU  104 - HN    LEU  104   2.77 +/- 0.43  33.668% * 65.7985% (0.22  10.0   7.39 218.35) =  50.364%  kept
          QG2   ILE  103 - HN    LEU  104   2.36 +/- 0.50  65.333% * 33.4146% (0.34   1.0   6.63  37.29) =  49.632%  kept
          QD2   LEU   40 - HN    LEU  104   5.25 +/- 0.72   0.981% *  0.1439% (0.49   1.0   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    LEU  104  11.41 +/- 1.71   0.008% *  0.1325% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  12.81 +/- 3.13   0.007% *  0.1439% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  14.54 +/- 1.24   0.002% *  0.2929% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.19 +/- 1.10   0.000% *  0.0737% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.789, support = 7.6, residual support = 196.0:
          QD2   LEU  104 - HN    LEU  104   3.22 +/- 0.73  81.626% * 65.4519% (0.80   7.93 218.35) =  89.466%  kept
          QD1   LEU   98 - HN    LEU  104   4.57 +/- 0.66  18.336% * 34.3051% (0.69   4.84   6.13) =  10.534%  kept
          QD1   ILE   19 - HN    LEU  104  15.17 +/- 1.27   0.011% *  0.1334% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.54 +/- 0.78   0.018% *  0.0459% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  16.12 +/- 1.18   0.009% *  0.0637% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.682, support = 7.13, residual support = 55.4:
          HB2   PHE   97 - HN    ASP- 105   2.30 +/- 0.62  95.444% * 79.9632% (0.69   7.16  55.82) =  98.908%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.79 +/- 1.27   4.405% * 19.1206% (0.25   4.71  20.53) =   1.092%  kept
          QE    LYS+  99 - HN    ASP- 105   7.93 +/- 1.10   0.074% *  0.2917% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.13 +/- 0.82   0.071% *  0.1337% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.27 +/- 1.68   0.002% *  0.2104% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  17.14 +/- 0.72   0.001% *  0.2362% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.28 +/- 1.78   0.003% *  0.0440% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.14, residual support = 55.8:
          HB3   PHE   97 - HN    ASP- 105   3.14 +/- 0.60  99.914% * 98.5988% (0.90   5.14  55.82) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.50 +/- 0.63   0.063% *  0.4281% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  15.11 +/- 1.85   0.015% *  0.4197% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.04 +/- 1.14   0.005% *  0.1190% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  20.04 +/- 1.47   0.002% *  0.1919% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.33 +/- 1.03   0.001% *  0.2424% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.74, residual support = 42.1:
      O   HB2   ASP- 105 - HN    ASP- 105   3.49 +/- 0.29  99.614% * 99.3924% (0.80  10.0   4.74  42.13) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  11.57 +/- 3.56   0.218% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.95 +/- 0.91   0.045% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.56 +/- 0.73   0.053% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.30 +/- 0.71   0.036% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  15.87 +/- 1.81   0.017% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  19.80 +/- 0.87   0.003% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.31 +/- 0.87   0.002% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  20.86 +/- 0.92   0.002% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.15 +/- 1.25   0.008% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.80 +/- 1.41   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.767, support = 4.6, residual support = 41.9:
      O   HB3   ASP- 105 - HN    ASP- 105   2.82 +/- 0.39  94.989% * 76.7239% (0.76  10.0   4.60  42.13) =  98.941%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.16 +/- 0.26   3.459% * 22.5198% (0.98   1.0   4.58  20.53) =   1.058%  kept
          HB    ILE  103 - HN    ASP- 105   6.01 +/- 0.51   1.514% *  0.0690% (0.69   1.0   0.02   2.59) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  15.00 +/- 2.74   0.015% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  15.19 +/- 1.25   0.006% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.72 +/- 0.97   0.004% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.82 +/- 1.50   0.003% *  0.0871% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.25 +/- 0.96   0.004% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  18.91 +/- 1.53   0.002% *  0.0927% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.91 +/- 0.98   0.001% *  0.0969% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  18.32 +/- 0.94   0.002% *  0.0377% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.09 +/- 1.29   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  20.08 +/- 1.06   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.505, support = 5.83, residual support = 35.7:
          HG    LEU  104 - HN    ASP- 105   4.50 +/- 0.39  71.178% * 50.9391% (0.45   6.43  40.50) =  76.069%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.53 +/- 0.44  23.812% * 47.8670% (0.69   3.94  20.53) =  23.914%  kept
          HB3   LYS+ 121 - HN    ASP- 105   9.22 +/- 4.89   4.833% *  0.1585% (0.45   0.02   0.02) =   0.016%
          HB3   LYS+ 111 - HN    ASP- 105  14.54 +/- 2.55   0.119% *  0.2002% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  16.51 +/- 0.87   0.032% *  0.2145% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.41 +/- 1.69   0.018% *  0.3505% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.69 +/- 0.75   0.008% *  0.2703% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.241, support = 5.72, residual support = 34.5:
          HB2   LEU  104 - HN    ASP- 105   2.60 +/- 0.73  71.248% * 64.0005% (0.22   6.39  40.50) =  84.192%  kept
          QG2   ILE  103 - HN    ASP- 105   3.23 +/- 0.41  25.436% * 33.6038% (0.34   2.19   2.59) =  15.782%  kept
          QD2   LEU   40 - HN    ASP- 105   5.50 +/- 0.91   3.233% *  0.4380% (0.49   0.02   0.02) =   0.026%
          QD1   ILE  119 - HN    ASP- 105  11.04 +/- 2.98   0.051% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    ASP- 105  10.71 +/- 2.01   0.028% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  14.38 +/- 1.00   0.003% *  0.8919% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.50 +/- 0.73   0.001% *  0.2244% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.8, residual support = 20.5:
          HB2   ASP- 105 - HN    LYS+ 106   2.91 +/- 0.35  99.555% * 97.8083% (0.98   3.80  20.53) =  99.999%  kept
          HB2   MET   96 - HN    LYS+ 106   8.26 +/- 0.36   0.250% *  0.1622% (0.31   0.02   1.97) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106  10.04 +/- 2.89   0.171% *  0.2160% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.94 +/- 1.18   0.004% *  0.4016% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  17.08 +/- 1.41   0.003% *  0.4712% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  14.04 +/- 2.38   0.015% *  0.0811% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  20.51 +/- 0.84   0.001% *  0.4389% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.41 +/- 0.89   0.001% *  0.4207% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.971, support = 5.35, residual support = 131.4:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.10 +/- 0.26  76.068% * 86.5295% (0.98  10.0   5.42 136.51) =  95.604%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.86 +/- 0.38  23.632% * 12.8054% (0.76   1.0   3.80  20.53) =   4.395%  kept
          HB    ILE  103 - HN    LYS+ 106   8.26 +/- 0.77   0.262% *  0.0606% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  14.17 +/- 1.72   0.012% *  0.0766% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  17.19 +/- 3.28   0.007% *  0.0571% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  16.65 +/- 2.18   0.004% *  0.0815% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.54 +/- 1.28   0.006% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.38 +/- 1.19   0.001% *  0.0766% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.14 +/- 1.38   0.002% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  20.24 +/- 1.10   0.001% *  0.0852% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.36 +/- 0.97   0.002% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.89 +/- 0.93   0.001% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.52 +/- 1.10   0.002% *  0.0197% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.67, residual support = 3.08:
          QG2   THR  118 - HN    LYS+ 106   5.53 +/- 3.40 100.000% *100.0000% (0.53   2.67   3.08) = 100.000%  kept
    Distance limit 4.56 A violated in 5 structures by 1.60 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.6:
          HB2   PHE   95 - HN    VAL  107   2.82 +/- 0.73 100.000% *100.0000% (1.00   2.31  45.62) = 100.000%  kept
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.2:
      O   HB    VAL  107 - HN    VAL  107   2.45 +/- 0.39  99.927% * 99.7350% (0.99  10.0   3.33  60.20) = 100.000%  kept
          QE    LYS+ 112 - HN    VAL  107  11.77 +/- 1.84   0.042% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    VAL  107  10.12 +/- 1.23   0.030% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.69 +/- 1.31   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.97 +/- 1.17   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.67 +/- 1.17   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.16, residual support = 26.9:
          QB    LYS+ 106 - HN    VAL  107   3.12 +/- 0.23  98.086% * 95.3618% (0.53   5.16  26.94) =  99.996%  kept
          HB3   ASP- 105 - HN    VAL  107   6.50 +/- 0.60   1.644% *  0.1752% (0.25   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    VAL  107  10.92 +/- 2.02   0.095% *  0.6486% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  12.03 +/- 1.01   0.038% *  0.6301% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107  10.39 +/- 0.97   0.091% *  0.1390% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  13.98 +/- 1.95   0.018% *  0.2889% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.68 +/- 1.23   0.007% *  0.5102% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.16 +/- 1.06   0.004% *  0.6887% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  17.87 +/- 1.43   0.003% *  0.3420% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.65 +/- 1.13   0.001% *  0.6964% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.26 +/- 1.25   0.004% *  0.1564% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.41 +/- 2.31   0.005% *  0.1230% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.00 +/- 0.87   0.002% *  0.2397% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.13, residual support = 60.2:
          QG1   VAL  107 - HN    VAL  107   3.03 +/- 0.46  99.558% * 91.2055% (0.20   4.13  60.20) =  99.991%  kept
          HG13  ILE  119 - HN    VAL  107   9.20 +/- 2.64   0.323% *  2.2134% (0.99   0.02   0.02) =   0.008%
          HG2   LYS+ 121 - HN    VAL  107  11.53 +/- 2.64   0.083% *  0.5569% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  107  12.79 +/- 1.57   0.022% *  1.3545% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.99 +/- 1.05   0.004% *  2.2282% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  15.97 +/- 0.83   0.006% *  1.3545% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  17.34 +/- 1.05   0.004% *  1.0870% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.67, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   3.11 +/- 0.48  99.023% * 99.4150% (0.95  10.0   4.67  65.01) =  99.999%  kept
          HB2   PRO   93 - HN    VAL  108   7.71 +/- 1.39   0.841% *  0.0994% (0.95   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    VAL  108  11.59 +/- 1.45   0.082% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.61 +/- 1.19   0.007% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  14.60 +/- 3.00   0.023% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.78 +/- 1.56   0.016% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.27 +/- 1.13   0.002% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.70 +/- 0.75   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  21.81 +/- 1.45   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.67 +/- 2.57   0.002% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.49 +/- 2.06   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.53 +/- 2.49   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 19.5:
          QG2   VAL  107 - HN    VAL  108   3.44 +/- 0.32  99.165% * 92.9865% (0.28   3.64  19.48) =  99.987%  kept
          HG13  ILE  119 - HN    VAL  108  10.73 +/- 1.79   0.596% *  1.7396% (0.95   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - HN    VAL  108  11.88 +/- 1.53   0.161% *  0.6273% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  108  12.90 +/- 1.82   0.062% *  0.8951% (0.49   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  108  18.03 +/- 1.22   0.007% *  1.5952% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.17 +/- 1.20   0.003% *  1.6976% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  19.02 +/- 1.04   0.004% *  0.4586% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.10 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.5:
          QG1   VAL  107 - HN    VAL  108   3.87 +/- 0.32  94.725% * 95.7591% (0.25   4.66  19.48) =  99.909%  kept
          HG    LEU   63 - HN    VAL  108  12.12 +/- 3.09   4.979% *  1.5915% (0.97   0.02   0.02) =   0.087%
          HG3   LYS+ 112 - HN    VAL  108  11.59 +/- 1.23   0.287% *  1.0003% (0.61   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    VAL  108  18.26 +/- 0.82   0.009% *  1.6491% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.48 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.2:
      O   HA    VAL   75 - HN    ASP-  76   2.23 +/- 0.03  99.998% * 99.6957% (0.69  10.0   4.64  27.21) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.81 +/- 0.99   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  17.49 +/- 1.23   0.000% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.46 +/- 1.13   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 = 36.2:
      O   HB2   ASP-  76 - HN    ASP-  76   2.61 +/- 0.46  99.102% * 99.7699% (1.00  10.0   3.72  36.22) =  99.999%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.48 +/- 0.62   0.876% *  0.0724% (0.73   1.0   0.02   3.20) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  12.21 +/- 0.62   0.017% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.48 +/- 1.38   0.004% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.93 +/- 0.69   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.72 +/- 0.84   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 3.74, residual support = 36.2:
      O   HB3   ASP-  76 - HN    ASP-  76   2.87 +/- 0.44  99.642% * 97.9021% (0.28  10.0   3.74  36.22) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.57 +/- 0.43   0.198% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  11.40 +/- 2.41   0.080% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  12.44 +/- 0.61   0.023% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  13.61 +/- 2.32   0.025% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.40 +/- 0.58   0.021% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.21 +/- 1.68   0.002% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.52 +/- 1.16   0.003% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  16.98 +/- 1.15   0.003% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  18.94 +/- 1.40   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  22.96 +/- 1.34   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.2:
          QG1   VAL   75 - HN    ASP-  76   2.67 +/- 0.26  99.996% * 99.7156% (0.69   4.97  27.21) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.66 +/- 2.22   0.004% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.2:
          QG2   VAL   75 - HN    ASP-  76   3.72 +/- 0.30  99.918% * 99.6073% (0.98   4.64  27.21) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.44 +/- 0.74   0.082% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.25:
      O   HA2   GLY  109 - HN    GLY  109   2.55 +/- 0.25  99.948% * 99.3336% (0.43  10.0   2.20   9.25) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  11.34 +/- 1.64   0.028% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.11 +/- 1.65   0.010% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  13.76 +/- 2.43   0.007% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.87 +/- 2.67   0.005% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.94 +/- 1.65   0.002% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.685, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   6.68 +/- 1.24  81.238% * 20.3763% (0.70   0.02   0.02) =  87.269%  kept
          HG12  ILE   89 - HN    GLY  109  11.16 +/- 2.72   8.654% * 21.3024% (0.73   0.02   0.02) =   9.718%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.74 +/- 1.60   8.410% *  4.3683% (0.15   0.02   0.02) =   1.937%  kept
          HG2   LYS+  74 - HN    GLY  109  14.69 +/- 1.56   1.136% * 13.3882% (0.46   0.02   0.02) =   0.802%  kept
          HG    LEU   71 - HN    GLY  109  22.39 +/- 2.21   0.124% * 14.2794% (0.49   0.02   0.02) =   0.094%
          HB3   LEU   71 - HN    GLY  109  21.01 +/- 2.21   0.218% *  5.5041% (0.19   0.02   0.02) =   0.063%
          HG3   LYS+  99 - HN    GLY  109  21.63 +/- 0.95   0.095% * 12.4970% (0.43   0.02   0.02) =   0.062%
          HG13  ILE   19 - HN    GLY  109  21.13 +/- 1.65   0.125% *  8.2844% (0.28   0.02   0.02) =   0.055%
    Distance limit 4.50 A violated in 19 structures by 1.87 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 = 7.56:
          QG1   VAL  108 - HN    GLY  109   2.62 +/- 0.29  99.958% * 98.9381% (0.65   3.09   7.56) = 100.000%  kept
          HB3   LEU   63 - HN    GLY  109  13.74 +/- 2.11   0.035% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    GLY  109  15.14 +/- 1.43   0.005% *  0.5069% (0.52   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.61 +/- 2.13   0.003% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.42:
      O   HA2   GLY  109 - HN    ALA  110   2.81 +/- 0.37  99.913% * 99.3336% (0.57  10.0   2.20   6.42) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  11.43 +/- 1.72   0.043% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  12.88 +/- 1.66   0.018% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  15.26 +/- 3.45   0.013% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  15.32 +/- 2.42   0.008% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.88 +/- 2.27   0.004% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.229, support = 0.741, residual support = 6.3:
          HG2   PRO   93 - HN    ALA  110   4.52 +/- 2.84  85.127% * 54.6666% (0.22   0.75   6.38) =  98.758%  kept
          HB3   PRO   52 - HN    ALA  110   8.87 +/- 4.42   6.607% *  6.4182% (0.98   0.02   0.02) =   0.900%  kept
          QB    LYS+ 106 - HN    ALA  110   9.06 +/- 0.91   5.401% *  1.2958% (0.20   0.02   0.02) =   0.149%
          QB    LYS+  66 - HN    ALA  110  15.92 +/- 2.21   0.883% *  2.9356% (0.45   0.02   0.02) =   0.055%
          HG    LEU  123 - HN    ALA  110  16.94 +/- 1.76   0.285% *  6.4182% (0.98   0.02   0.02) =   0.039%
          HB3   ASP- 105 - HN    ALA  110  13.74 +/- 1.13   0.562% *  2.9356% (0.45   0.02   0.02) =   0.035%
          HB3   GLN   90 - HN    ALA  110  12.28 +/- 3.03   0.591% *  1.8205% (0.28   0.02   0.02) =   0.023%
          HG12  ILE  103 - HN    ALA  110  17.48 +/- 1.91   0.124% *  5.2431% (0.80   0.02   0.02) =   0.014%
          HG2   ARG+  54 - HN    ALA  110  13.13 +/- 2.97   0.157% *  3.1872% (0.49   0.02   0.02) =   0.011%
          HB    ILE  103 - HN    ALA  110  17.64 +/- 1.56   0.135% *  3.4450% (0.53   0.02   0.02) =   0.010%
          HB    VAL   41 - HN    ALA  110  20.28 +/- 1.44   0.039% *  4.2358% (0.65   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA  110  22.89 +/- 2.86   0.029% *  3.7071% (0.57   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA  110  18.12 +/- 2.56   0.047% *  1.4578% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA  110  24.51 +/- 1.84   0.012% *  2.2335% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 3 structures by 0.74 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   2.64 +/- 0.29  95.575% * 98.9553% (0.69  10.0   2.12   9.59) =  99.997%  kept
          HB3   LEU  115 - HN    ALA  110   7.05 +/- 1.80   4.400% *  0.0592% (0.41   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ALA  110  12.88 +/- 2.29   0.014% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.20 +/- 2.14   0.004% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  19.01 +/- 2.73   0.002% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.49 +/- 2.00   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  19.82 +/- 2.32   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.34 +/- 2.65   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.48 +/- 1.80   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  21.54 +/- 2.34   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.26 +/- 1.82   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.92 +/- 2.67   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.5:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.09 +/- 0.60  69.465% * 99.3619% (1.00  10.0   7.06 315.54) =  99.977%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.68 +/- 0.85  30.457% *  0.0524% (0.53   1.0   0.02   2.25) =   0.023%
          HB    ILE  119 - HN    LYS+ 111  10.87 +/- 1.11   0.072% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  21.92 +/- 2.08   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.20 +/- 1.80   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.19 +/- 1.72   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  21.16 +/- 1.95   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  21.94 +/- 1.97   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.78 +/- 1.88   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.47 +/- 1.75   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  29.38 +/- 1.96   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.30 +/- 1.51   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.5:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.75 +/- 0.59  99.946% * 99.4649% (0.92  10.0   5.50 315.54) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.35 +/- 0.92   0.020% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.38 +/- 1.32   0.017% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  15.33 +/- 2.38   0.007% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.88 +/- 1.88   0.005% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.62 +/- 1.25   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.83 +/- 1.94   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  20.92 +/- 1.69   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.58 +/- 2.33   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 315.5:
          HG3   LYS+ 111 - HN    LYS+ 111   3.41 +/- 0.30  98.522% * 98.8205% (0.92   6.55 315.54) =  99.999%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.07 +/- 1.13   1.434% *  0.0647% (0.20   0.02  28.14) =   0.001%
          HG12  ILE   89 - HN    LYS+ 111  14.59 +/- 2.27   0.025% *  0.3156% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.41 +/- 2.06   0.012% *  0.1983% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.29 +/- 2.45   0.001% *  0.2115% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.58 +/- 1.49   0.001% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  22.29 +/- 1.91   0.002% *  0.1227% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.03 +/- 2.51   0.002% *  0.0815% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.16 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.17, residual support = 2.17:
          QD1   ILE   56 - HN    LYS+ 111   5.78 +/- 2.65  93.898% * 97.4976% (0.76   2.18   2.17) =  99.947%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.31 +/- 1.02   3.102% *  1.1316% (0.97   0.02   0.02) =   0.038%
          QD2   LEU  123 - HN    LYS+ 111  14.42 +/- 0.83   1.867% *  0.4000% (0.34   0.02   0.02) =   0.008%
          QD2   LEU   73 - HN    LYS+ 111  16.70 +/- 2.28   1.017% *  0.5708% (0.49   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LYS+ 111  22.93 +/- 1.86   0.117% *  0.4000% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 12 structures by 2.09 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.75, residual support = 231.5:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.79 +/- 0.04  99.993% * 99.8622% (0.87  10.0   5.75 231.52) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.38 +/- 1.86   0.005% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  16.92 +/- 1.18   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.02 +/- 3.02   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.07, residual support = 28.1:
          HB2   LYS+ 111 - HN    LYS+ 112   3.69 +/- 0.38  89.842% * 97.8550% (0.87   7.07  28.14) =  99.990%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.50 +/- 0.41   9.736% *  0.0887% (0.28   0.02   1.34) =   0.010%
          HB    ILE  119 - HN    LYS+ 112  10.66 +/- 0.99   0.213% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.41 +/- 0.95   0.117% *  0.0887% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.55 +/- 1.31   0.081% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  22.73 +/- 1.77   0.002% *  0.2554% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.74 +/- 2.31   0.002% *  0.3190% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.11 +/- 1.87   0.001% *  0.2554% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  27.14 +/- 2.51   0.001% *  0.2554% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  25.87 +/- 2.05   0.001% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.05 +/- 2.06   0.002% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.49 +/- 2.37   0.002% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.69 +/- 2.10   0.000% *  0.1806% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  32.00 +/- 1.90   0.000% *  0.1935% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 231.5:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.67 +/- 0.60  98.483% * 98.9690% (0.76  10.0   5.71 231.52) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.30 +/- 2.34   1.489% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.45 +/- 1.50   0.013% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.98 +/- 1.58   0.007% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  18.16 +/- 2.19   0.003% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.16 +/- 1.63   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.52 +/- 1.60   0.002% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.39 +/- 2.31   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.31 +/- 1.82   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.11 +/- 1.86   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.09 +/- 2.26   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.50 +/- 1.81   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  29.74 +/- 1.98   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.08 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.885, support = 5.72, residual support = 231.5:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.90 +/- 0.66  83.359% * 84.5027% (0.90  10.0   5.70 231.52) =  97.027%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.66 +/- 0.97  14.103% * 15.3010% (0.49   1.0   6.67 231.52) =   2.972%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.32 +/- 1.25   2.465% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  11.24 +/- 1.33   0.070% *  0.0817% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.21 +/- 1.83   0.002% *  0.0571% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.85 +/- 3.15   0.000% *  0.0387% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 231.5:
          HG2   LYS+ 112 - HN    LYS+ 112   3.54 +/- 0.48  99.596% * 98.1755% (0.34   6.23 231.52) =  99.997%  kept
          QB    ALA   47 - HN    LYS+ 112  12.51 +/- 2.25   0.286% *  0.7399% (0.80   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    LYS+ 112  13.40 +/- 1.81   0.083% *  0.6348% (0.69   0.02   0.02) =   0.001%
          QB    ALA   64 - HN    LYS+ 112  14.57 +/- 1.35   0.035% *  0.4498% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 8.54:
          QD1   ILE   56 - HN    LYS+ 112   5.92 +/- 2.28  95.870% * 96.8834% (0.76   1.74   8.54) =  99.964%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.69 +/- 0.88   1.061% *  1.4094% (0.97   0.02   0.02) =   0.016%
          QD2   LEU   73 - HN    LYS+ 112  18.45 +/- 2.75   1.301% *  0.7109% (0.49   0.02   0.02) =   0.010%
          QD2   LEU  123 - HN    LYS+ 112  13.69 +/- 1.11   1.667% *  0.4982% (0.34   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    LYS+ 112  25.74 +/- 1.99   0.102% *  0.4982% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 13 structures by 2.17 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 231.5:
          HG3   LYS+ 112 - HN    LYS+ 112   3.25 +/- 0.46  99.667% * 99.2176% (0.87   5.94 231.52) = 100.000%  kept
          QG2   VAL  108 - HN    LYS+ 112   9.70 +/- 1.07   0.300% *  0.0594% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    LYS+ 112  13.36 +/- 2.09   0.032% *  0.3776% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.41 +/- 1.47   0.001% *  0.3454% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.13 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.07, residual support = 15.4:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.04  99.974% * 99.8622% (0.74  10.0   5.07  15.39) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  15.98 +/- 1.10   0.013% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  16.81 +/- 1.83   0.012% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  27.31 +/- 2.54   0.001% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.31, residual support = 13.9:
      O   QB    ASP- 113 - HN    ASP- 113   2.09 +/- 0.07 100.000% *100.0000% (0.82  10.0   3.31  13.92) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.7, residual support = 23.3:
          QG    GLU- 114 - HN    ASP- 113   4.51 +/- 0.41  99.380% * 93.1824% (0.26   2.70  23.34) =  99.993%  kept
          HG2   PRO   52 - HN    ASP- 113  14.14 +/- 2.52   0.193% *  1.7093% (0.65   0.02   0.02) =   0.004%
          HB2   PRO   58 - HN    ASP- 113  13.61 +/- 1.48   0.188% *  1.0887% (0.41   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    ASP- 113  14.23 +/- 2.95   0.235% *  0.5577% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  26.23 +/- 2.04   0.003% *  0.8394% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.61 +/- 1.70   0.001% *  2.0647% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  35.16 +/- 1.76   0.001% *  0.5577% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.12 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.813, support = 2.7, residual support = 6.19:
          HB2   LYS+ 111 - HN    ASP- 113   3.31 +/- 0.34  86.072% * 59.2406% (0.85   2.64   4.42) =  90.662%  kept
          QB    GLU- 114 - HN    ASP- 113   4.55 +/- 0.24  13.779% * 38.1150% (0.45   3.22  23.34) =   9.338%  kept
          HB    ILE  119 - HN    ASP- 113   9.82 +/- 0.67   0.144% *  0.1121% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  23.46 +/- 1.53   0.001% *  0.4407% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  23.37 +/- 2.10   0.001% *  0.4032% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  24.31 +/- 1.63   0.001% *  0.4407% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.04 +/- 2.24   0.001% *  0.1687% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  23.71 +/- 1.63   0.001% *  0.2016% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  27.70 +/- 2.40   0.000% *  0.2365% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  26.30 +/- 1.76   0.000% *  0.1121% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.88 +/- 1.65   0.000% *  0.3900% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.07 +/- 1.70   0.000% *  0.1388% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.75, residual support = 15.4:
          HB2   LYS+ 112 - HN    ASP- 113   3.30 +/- 0.29  99.676% * 96.5033% (0.65   5.75  15.39) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.61 +/- 2.18   0.247% *  0.0678% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.85 +/- 1.39   0.026% *  0.2841% (0.55   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.41 +/- 1.70   0.035% *  0.1648% (0.32   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.21 +/- 1.73   0.005% *  0.4055% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.70 +/- 1.40   0.003% *  0.4055% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.28 +/- 1.39   0.003% *  0.3017% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  21.95 +/- 1.95   0.002% *  0.3810% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  21.36 +/- 1.39   0.002% *  0.1806% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.39 +/- 1.43   0.001% *  0.3669% (0.71   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  30.30 +/- 1.99   0.000% *  0.4239% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  30.05 +/- 1.75   0.000% *  0.4055% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  24.54 +/- 1.51   0.001% *  0.1095% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.07 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.58, residual support = 15.4:
          HB3   LYS+ 112 - HN    ASP- 113   3.54 +/- 0.39  86.060% * 58.7425% (0.76   4.52  15.39) =  95.637%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.92 +/- 0.67   5.660% * 40.6543% (0.41   5.77  15.39) =   4.353%  kept
          QG2   VAL  107 - HN    ASP- 113   6.24 +/- 1.06   8.095% *  0.0573% (0.17   0.02   0.02) =   0.009%
          QG2   THR   94 - HN    ASP- 113  11.57 +/- 1.50   0.179% *  0.2512% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  18.77 +/- 1.64   0.005% *  0.1756% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.00 +/- 2.90   0.002% *  0.1191% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 23.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.61 +/- 0.04  99.503% * 99.6702% (1.00  10.0   3.60  23.34) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.87 +/- 1.48   0.322% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.77 +/- 0.63   0.151% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.55 +/- 0.44   0.016% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.32 +/- 1.13   0.002% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.10 +/- 1.93   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.45 +/- 1.19   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 3.6, residual support = 23.3:
          QB    ASP- 113 - HN    GLU- 114   2.60 +/- 0.19  99.993% * 99.8719% (0.97   3.60  23.34) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.29 +/- 0.66   0.007% *  0.1281% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.43, residual support = 43.8:
          QG    GLU- 114 - HN    GLU- 114   2.61 +/- 0.34  99.983% * 97.7446% (0.84   4.43  43.81) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  14.22 +/- 2.45   0.009% *  0.5174% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  13.97 +/- 2.58   0.008% *  0.4034% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.37 +/- 1.68   0.000% *  0.4734% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.30 +/- 1.13   0.000% *  0.4579% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  33.54 +/- 1.31   0.000% *  0.4034% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 3.72, residual support = 39.5:
      O   QB    GLU- 114 - HN    GLU- 114   2.29 +/- 0.17  60.306% * 84.6367% (0.84  10.0   3.77  43.81) =  89.656%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.77 +/- 0.97  39.693% * 14.8365% (0.90   1.0   3.27   2.25) =  10.344%  kept
          HG2   PRO   68 - HN    GLU- 114  21.01 +/- 1.94   0.000% *  0.0696% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  22.76 +/- 1.23   0.000% *  0.0959% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  22.54 +/- 1.00   0.000% *  0.0774% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.39 +/- 1.14   0.000% *  0.0959% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.37 +/- 1.57   0.000% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.60 +/- 1.17   0.000% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  26.31 +/- 1.82   0.000% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.11, residual support = 2.25:
          HB3   LYS+ 111 - HN    GLU- 114   3.51 +/- 0.49  99.600% * 91.1297% (0.92   1.11   2.25) =  99.995%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.07 +/- 0.88   0.166% *  1.7507% (0.98   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HN    GLU- 114  11.27 +/- 1.57   0.188% *  0.7343% (0.41   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    GLU- 114  15.84 +/- 1.36   0.020% *  1.4302% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  17.40 +/- 1.48   0.010% *  1.6018% (0.90   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  18.15 +/- 1.00   0.007% *  1.7507% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  18.93 +/- 0.95   0.006% *  0.6093% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  22.56 +/- 0.96   0.002% *  0.4966% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.56 +/- 1.79   0.000% *  0.4966% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.871, support = 1.72, residual support = 4.35:
          QG1   VAL  107 - HN    GLU- 114   5.01 +/- 0.52  77.239% * 43.2559% (0.84   1.68   5.36) =  74.957%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.62 +/- 0.91  20.064% * 55.5996% (0.98   1.84   1.34) =  25.028%  kept
          HG13  ILE  119 - HN    GLU- 114   9.22 +/- 0.92   2.685% *  0.2530% (0.41   0.02   0.02) =   0.015%
          QG1   VAL   24 - HN    GLU- 114  23.39 +/- 1.43   0.008% *  0.6155% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.58 +/- 1.04   0.004% *  0.2760% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.20 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   2.97 +/- 0.33  99.968% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  12.80 +/- 1.65   0.028% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  18.05 +/- 2.58   0.003% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.45 +/- 1.27   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.52 +/- 1.36   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.75 +/- 1.43   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.91 +/- 0.06  99.995% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  15.97 +/- 1.60   0.005% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.54 +/- 0.76   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.24 +/- 0.10  99.995% * 99.4046% (0.57  10.0   6.39  75.71) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.52 +/- 1.57   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  19.65 +/- 2.40   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.52 +/- 1.28   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.91 +/- 1.46   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  30.11 +/- 1.36   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 75.7:
          HG3   GLU- 100 - HN    GLU- 100   2.88 +/- 0.63  99.931% * 97.4397% (0.69   4.30  75.71) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.60 +/- 1.28   0.051% *  0.6463% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  14.97 +/- 1.87   0.014% *  0.6463% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  20.36 +/- 1.46   0.002% *  0.6237% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.22 +/- 2.15   0.002% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  25.90 +/- 1.34   0.000% *  0.1833% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  26.09 +/- 2.70   0.000% *  0.1305% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  29.20 +/- 1.99   0.000% *  0.1833% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 39.6:
          HB2   LYS+  99 - HN    GLU- 100   4.37 +/- 0.17  99.721% * 99.1240% (0.73   5.60  39.65) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  11.96 +/- 0.63   0.264% *  0.4071% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  24.44 +/- 1.00   0.004% *  0.3725% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  20.40 +/- 1.18   0.011% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.35, residual support = 39.6:
          HG2   LYS+  99 - HN    GLU- 100   3.20 +/- 0.40  97.727% * 98.3866% (0.90   6.35  39.65) =  99.992%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.85 +/- 1.43   2.121% *  0.3332% (0.97   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    GLU- 100  10.53 +/- 1.47   0.128% *  0.1955% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  18.00 +/- 1.26   0.004% *  0.3266% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.21 +/- 1.38   0.004% *  0.2094% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  17.17 +/- 1.24   0.005% *  0.1066% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.59 +/- 0.87   0.007% *  0.0769% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  19.83 +/- 1.12   0.002% *  0.1419% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.17 +/- 2.75   0.001% *  0.2234% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.84, residual support = 171.8:
      O   HB2   LYS+  99 - HN    LYS+  99   2.98 +/- 0.29  99.822% * 99.7262% (0.99  10.0   4.84 171.80) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99   9.96 +/- 0.62   0.092% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  10.57 +/- 0.73   0.069% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  19.83 +/- 0.69   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  22.81 +/- 0.99   0.001% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.15 +/- 1.19   0.006% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  16.55 +/- 0.63   0.004% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.85 +/- 0.84   0.005% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 4.04, residual support = 19.0:
          QB    LEU   98 - HN    LYS+  99   3.11 +/- 0.23  96.995% * 93.8497% (0.57   4.04  19.05) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  14.37 +/- 5.58   0.053% *  0.7120% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.07 +/- 2.10   2.212% *  0.0083% (0.01   0.02   4.76) =   0.000%
          HG12  ILE   19 - HN    GLN   30   8.78 +/- 0.93   0.275% *  0.0484% (0.06   0.02  14.90) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  14.77 +/- 1.36   0.010% *  0.7361% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  13.52 +/- 1.62   0.020% *  0.3680% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.19 +/- 0.98   0.057% *  0.1266% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.08 +/- 0.99   0.128% *  0.0432% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  10.85 +/- 0.54   0.059% *  0.0520% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.26 +/- 1.30   0.092% *  0.0305% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.12 +/- 0.70   0.055% *  0.0450% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  17.55 +/- 0.71   0.003% *  0.6856% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.04 +/- 1.50   0.003% *  0.6856% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  18.69 +/- 1.49   0.002% *  0.7921% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.61 +/- 1.92   0.008% *  0.2282% (0.28   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.53 +/- 0.67   0.003% *  0.4978% (0.61   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  18.97 +/- 1.54   0.002% *  0.6572% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.29 +/- 1.76   0.001% *  0.2533% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.99 +/- 1.04   0.004% *  0.0327% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.57 +/- 2.14   0.007% *  0.0166% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.93 +/- 0.92   0.004% *  0.0242% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  20.97 +/- 2.02   0.001% *  0.0450% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.57 +/- 3.93   0.001% *  0.0468% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.70 +/- 1.25   0.001% *  0.0150% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.738, support = 3.54, residual support = 17.9:
          QD1   LEU   98 - HN    LYS+  99   3.54 +/- 0.89  52.052% * 52.1140% (0.69   3.93  19.05) =  55.046%  kept
          QD2   LEU  104 - HN    LYS+  99   3.62 +/- 0.84  46.772% * 47.3641% (0.80   3.07  16.52) =  44.954%  kept
          QD1   ILE   19 - HN    GLN   30   7.28 +/- 1.11   0.990% *  0.0164% (0.04   0.02  14.90) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  13.62 +/- 1.38   0.016% *  0.2495% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.52 +/- 1.17   0.103% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.77 +/- 0.74   0.010% *  0.0859% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.17 +/- 0.96   0.004% *  0.1190% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.32 +/- 0.86   0.029% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.35 +/- 1.18   0.007% *  0.0203% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.62 +/- 0.80   0.017% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.854, support = 4.03, residual support = 16.3:
          QD1   LEU  104 - HN    LYS+  99   3.98 +/- 0.70  67.526% * 93.7232% (0.87   4.06  16.52) =  98.360%  kept
          QD1   LEU   73 - HN    GLN   30   5.08 +/- 1.92  27.832% *  3.7729% (0.06   2.49   4.76) =   1.632%  kept
          QD1   LEU   73 - HN    LYS+  99   9.13 +/- 0.82   0.689% *  0.4618% (0.87   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    GLN   30   7.07 +/- 0.45   2.509% *  0.0347% (0.07   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  99  12.01 +/- 1.15   0.106% *  0.4618% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.91 +/- 1.89   0.131% *  0.1480% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  14.89 +/- 1.17   0.033% *  0.5277% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.90 +/- 2.51   1.033% *  0.0144% (0.03   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  16.36 +/- 2.67   0.026% *  0.5312% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  14.66 +/- 2.22   0.044% *  0.2189% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.16 +/- 1.01   0.025% *  0.0303% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.67 +/- 1.47   0.021% *  0.0303% (0.06   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.56 +/- 2.53   0.006% *  0.0349% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  16.03 +/- 1.89   0.020% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.08, residual support = 11.0:
          HB3   PHE   97 - HN    LEU   98   3.81 +/- 0.41  99.297% * 97.5728% (0.65   4.08  11.02) =  99.995%  kept
          HB2   GLU- 100 - HN    LEU   98   9.18 +/- 0.42   0.618% *  0.6633% (0.90   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    LEU   98  13.56 +/- 0.92   0.060% *  0.3891% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.25 +/- 2.15   0.010% *  0.5922% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.22 +/- 1.07   0.010% *  0.6178% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  20.30 +/- 1.36   0.005% *  0.1647% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.699, support = 3.13, residual support = 22.5:
          HB    VAL   41 - HN    LEU   98   4.90 +/- 1.06  50.108% * 41.1932% (0.65   3.51  18.27) =  58.392%  kept
          HG12  ILE  103 - HN    LEU   98   5.40 +/- 1.09  34.182% * 39.3970% (0.80   2.71  30.45) =  38.096%  kept
          HB3   ASP- 105 - HN    LEU   98   7.18 +/- 1.42   8.504% * 11.9915% (0.45   1.47   0.58) =   2.885%  kept
          HB    ILE  103 - HN    LEU   98   7.09 +/- 0.37   3.831% *  5.7032% (0.53   0.60  30.45) =   0.618%  kept
          QB    LYS+ 106 - HN    LEU   98   7.65 +/- 0.72   2.848% *  0.0719% (0.20   0.02   0.02) =   0.006%
          HG3   PRO   68 - HN    LEU   98  13.60 +/- 2.10   0.142% *  0.2056% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LEU   98  11.87 +/- 0.97   0.182% *  0.1238% (0.34   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU   98  12.92 +/- 1.15   0.121% *  0.1628% (0.45   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   98  17.36 +/- 4.15   0.034% *  0.3559% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.90 +/- 0.78   0.020% *  0.0808% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  22.36 +/- 1.44   0.004% *  0.3559% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.27 +/- 0.68   0.009% *  0.1009% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  19.01 +/- 0.76   0.010% *  0.0808% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.88 +/- 1.72   0.004% *  0.1767% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.21 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.12, residual support = 83.1:
      O   QB    LEU   98 - HN    LEU   98   2.65 +/- 0.27  96.891% * 99.2383% (0.84  10.0   5.12  83.10) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.47 +/- 0.93   2.988% *  0.0208% (0.18   1.0   0.02   0.45) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  12.92 +/- 5.02   0.028% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  11.75 +/- 1.48   0.026% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.83 +/- 1.50   0.031% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  13.69 +/- 0.93   0.006% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.26 +/- 1.57   0.009% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  15.87 +/- 1.25   0.003% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.92 +/- 1.18   0.009% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.22 +/- 0.82   0.004% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  16.11 +/- 1.43   0.002% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.99 +/- 1.37   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.35 +/- 1.04   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 4.21, residual support = 9.12:
          QD2   LEU   40 - HN    LEU   98   2.70 +/- 0.55  92.610% * 80.5951% (0.97   4.23   8.98) =  99.326%  kept
          QG2   ILE  103 - HN    LEU   98   5.52 +/- 0.45   2.745% * 18.2550% (0.87   1.07  30.45) =   0.667%  kept
          QD2   LEU   71 - HN    LEU   98   9.27 +/- 1.55   3.120% *  0.1098% (0.28   0.02   0.02) =   0.005%
          QD1   ILE  103 - HN    LEU   98   6.02 +/- 0.66   1.358% *  0.0781% (0.20   0.02  30.45) =   0.001%
          QD1   LEU   67 - HN    LEU   98   9.08 +/- 1.28   0.136% *  0.3735% (0.95   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    LEU   98  11.39 +/- 1.18   0.026% *  0.2867% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  14.52 +/- 1.04   0.005% *  0.3017% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.414, support = 4.3, residual support = 69.3:
          QD1   LEU   98 - HN    LEU   98   3.96 +/- 0.68  52.534% * 49.9845% (0.38   4.94  83.10) =  81.704%  kept
          QD2   LEU  104 - HN    LEU   98   5.70 +/- 0.90   9.007% * 31.4010% (0.99   1.17   6.13) =   8.800%  kept
          QG1   VAL   43 - HN    LEU   98   4.66 +/- 0.68  24.726% *  6.1978% (0.28   0.83   0.02) =   4.768%  kept
          QG1   VAL   41 - HN    LEU   98   5.48 +/- 0.89  13.402% * 11.3287% (0.15   2.72  18.27) =   4.724%  kept
          QD1   ILE   19 - HN    LEU   98  11.29 +/- 1.33   0.181% *  0.4981% (0.92   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    LEU   98  11.43 +/- 0.83   0.114% *  0.2627% (0.49   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LEU   98  13.82 +/- 1.13   0.036% *  0.3273% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.204, support = 4.14, residual support = 57.3:
          QD2   LEU   98 - HN    LEU   98   3.22 +/- 0.93  64.465% * 30.4415% (0.15   4.68  83.10) =  61.939%  kept
          QG2   VAL   41 - HN    LEU   98   4.32 +/- 1.15  20.596% * 44.1156% (0.28   3.76  18.27) =  28.678%  kept
          QD1   LEU  104 - HN    LEU   98   5.24 +/- 1.10  13.355% * 22.1746% (0.31   1.70   6.13) =   9.347%  kept
          QD1   LEU   73 - HN    LEU   98   6.79 +/- 0.73   0.883% *  0.7563% (0.90   0.02   0.02) =   0.021%
          QD2   LEU   63 - HN    LEU   98   9.04 +/- 1.94   0.339% *  0.7044% (0.84   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   98   8.88 +/- 1.26   0.279% *  0.7563% (0.90   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    LEU   98  13.48 +/- 2.72   0.047% *  0.4775% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   98  12.60 +/- 0.79   0.023% *  0.4437% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  14.01 +/- 1.26   0.013% *  0.1301% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 4.84, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.48 +/- 0.44  98.135% * 99.6886% (0.95  10.0   4.84  62.58) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.86 +/- 1.42   1.759% *  0.0554% (0.53   1.0   0.02   8.73) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.20 +/- 0.93   0.049% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.90 +/- 0.79   0.007% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.89 +/- 0.52   0.039% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.46 +/- 1.98   0.008% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.78 +/- 1.32   0.003% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 45.5:
          HG2   MET   96 - HN    PHE   97   3.45 +/- 0.54  99.992% * 99.8228% (0.98   5.60  45.52) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  19.00 +/- 2.80   0.008% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.19, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.26 +/- 0.40  98.665% * 99.0693% (0.34  10.0   5.19  62.58) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.31 +/- 0.71   1.268% *  0.0808% (0.28   1.0   0.02   2.37) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.41 +/- 0.54   0.040% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.57 +/- 2.04   0.014% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.47 +/- 1.13   0.008% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.26 +/- 0.94   0.004% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 5.18, residual support = 49.0:
          HB2   MET   96 - HN    PHE   97   3.96 +/- 0.23  77.281% * 35.2431% (0.31   6.07  45.52) =  65.937%  kept
          HB2   ASP- 105 - HN    PHE   97   5.17 +/- 0.93  22.225% * 63.3048% (0.98   3.44  55.82) =  34.061%  kept
          HG12  ILE  119 - HN    PHE   97  11.65 +/- 3.62   0.353% *  0.1546% (0.41   0.02   0.80) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  13.59 +/- 0.82   0.049% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  17.36 +/- 0.57   0.012% *  0.3372% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.45 +/- 0.98   0.012% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  13.48 +/- 1.49   0.062% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.64 +/- 0.81   0.007% *  0.3010% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 45.5:
          HB3   MET   96 - HN    PHE   97   4.41 +/- 0.22  99.671% * 91.3874% (0.15   6.07  45.52) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  13.63 +/- 0.87   0.128% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  15.92 +/- 0.79   0.049% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.72 +/- 1.11   0.055% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  15.47 +/- 1.77   0.072% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  19.07 +/- 1.38   0.018% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.56 +/- 1.47   0.006% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  30.78 +/- 1.86   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.20 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.625, support = 1.32, residual support = 1.52:
          QG2   ILE  103 - HN    PHE   97   3.67 +/- 0.93  87.122% * 48.2933% (0.61   1.35   1.52) =  88.153%  kept
          QD2   LEU   40 - HN    PHE   97   5.59 +/- 0.75  11.554% * 48.8670% (0.76   1.08   1.45) =  11.830%  kept
          QD1   LEU   67 - HN    PHE   97  10.52 +/- 1.62   0.473% *  0.8563% (0.73   0.02   0.02) =   0.008%
          HB    VAL   75 - HN    PHE   97  10.95 +/- 0.89   0.208% *  1.1155% (0.95   0.02   0.02) =   0.005%
          QD1   ILE  119 - HN    PHE   97  10.85 +/- 3.11   0.618% *  0.2940% (0.25   0.02   0.80) =   0.004%
          HG3   LYS+  74 - HN    PHE   97  14.58 +/- 0.84   0.025% *  0.5740% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.59 +/- 0.17  98.604% * 95.7137% (0.24   4.00  11.99) =  99.984%  kept
          HB3   TRP   87 - HN    MET   96   8.03 +/- 1.70   1.357% *  1.0877% (0.54   0.02   0.02) =   0.016%
          HG3   GLN  116 - HN    MET   96  16.62 +/- 1.80   0.016% *  0.9352% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  19.12 +/- 0.58   0.005% *  1.8832% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.73 +/- 1.93   0.019% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.06, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.84 +/- 0.17  99.181% * 99.6054% (0.94  10.0   4.06 115.52) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   7.95 +/- 1.34   0.769% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.94 +/- 0.87   0.020% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.35 +/- 0.83   0.011% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.61 +/- 0.66   0.006% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.25 +/- 0.67   0.003% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  14.01 +/- 0.42   0.007% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.61 +/- 0.54   0.001% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.5:
      O   HB3   MET   96 - HN    MET   96   2.55 +/- 0.23  99.953% * 99.5022% (0.57  10.0   3.97 115.52) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.84 +/- 0.65   0.014% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.00 +/- 1.17   0.019% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  12.33 +/- 1.32   0.012% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.48 +/- 1.91   0.002% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.92 +/- 1.33   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.76 +/- 1.59   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.47 +/- 0.39  99.432% * 76.2797% (0.19   1.50  16.41) =  99.978%  kept
          HB2   LEU   71 - HN    MET   96  11.86 +/- 1.23   0.130% *  4.4580% (0.82   0.02   0.02) =   0.008%
          HG2   PRO   93 - HN    MET   96  10.90 +/- 0.70   0.162% *  2.5016% (0.46   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    MET   96  11.69 +/- 0.48   0.082% *  3.7319% (0.69   0.02   0.30) =   0.004%
          HB2   LYS+  99 - HN    MET   96  11.54 +/- 0.49   0.093% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    MET   96  14.30 +/- 0.85   0.026% *  4.2927% (0.79   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  13.08 +/- 1.26   0.049% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  15.97 +/- 0.59   0.013% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  15.82 +/- 0.95   0.014% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.47, residual support = 1.84:
          QG2   THR   94 - HN    MET   96   4.41 +/- 0.26  96.340% * 95.2535% (0.85   1.47   1.84) =  99.976%  kept
          HB3   LEU   71 - HN    MET   96  11.82 +/- 1.46   0.833% *  1.3630% (0.89   0.02   0.02) =   0.012%
          HG12  ILE   89 - HN    MET   96   8.48 +/- 1.02   2.525% *  0.3208% (0.21   0.02   2.22) =   0.009%
          HB3   LYS+ 112 - HN    MET   96  16.34 +/- 1.97   0.082% *  1.2498% (0.82   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  14.55 +/- 2.15   0.177% *  0.4006% (0.26   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  16.81 +/- 1.88   0.043% *  1.4123% (0.93   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.32 +/- 0.65  94.046% * 96.6032% (0.76   2.96  16.41) =  99.955%  kept
          QG2   THR   46 - HN    MET   96   9.22 +/- 1.04   1.918% *  0.8141% (0.94   0.02   0.02) =   0.017%
          QG2   VAL   18 - HN    MET   96   9.43 +/- 0.72   1.206% *  0.7874% (0.91   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    MET   96   8.86 +/- 0.48   1.621% *  0.4949% (0.57   0.02   0.02) =   0.009%
          QD2   LEU  104 - HN    MET   96   9.84 +/- 0.69   0.873% *  0.5925% (0.69   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    MET   96  11.73 +/- 0.78   0.337% *  0.7078% (0.82   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 0 structures by 0.10 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.809, support = 0.92, residual support = 0.719:
          QD1   LEU   63 - HN    MET   96   6.93 +/- 1.74  19.228% * 46.1594% (0.85   1.01   0.79) =  75.435%  kept
          QD2   LEU   63 - HN    MET   96   8.28 +/- 1.92   6.289% * 28.3736% (0.79   0.66   0.79) =  15.166%  kept
          QD2   LEU  115 - HN    MET   96  10.36 +/- 2.55   3.796% * 23.0960% (0.54   0.80   0.02) =   7.452%  kept
          QD1   LEU   73 - HN    MET   96   7.28 +/- 1.20  12.315% *  0.9172% (0.85   0.02   0.02) =   0.960%  kept
          QD2   LEU   98 - HN    MET   96   5.81 +/- 1.40  41.192% *  0.1578% (0.15   0.02   0.34) =   0.552%  kept
          QG2   VAL   41 - HN    MET   96   6.89 +/- 0.78  13.379% *  0.2844% (0.26   0.02   0.02) =   0.323%
          QD1   LEU  104 - HN    MET   96   9.56 +/- 1.06   1.866% *  0.3157% (0.29   0.02   0.02) =   0.050%
          QD2   LEU   80 - HN    MET   96  10.18 +/- 0.69   1.085% *  0.5381% (0.50   0.02   0.02) =   0.050%
          QD1   LEU   80 - HN    MET   96  11.05 +/- 1.39   0.849% *  0.1578% (0.15   0.02   0.02) =   0.011%
    Distance limit 4.50 A violated in 2 structures by 0.41 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.721, support = 0.748, residual support = 2.22:
          QD1   ILE   89 - HN    MET   96   5.58 +/- 1.08  84.052% * 97.8754% (0.72   0.75   2.22) =  99.795%  kept
          QG2   VAL   83 - HN    MET   96   8.64 +/- 1.50   7.953% *  1.6624% (0.46   0.02   0.02) =   0.160%
          QD2   LEU   31 - HN    MET   96   8.61 +/- 0.85   7.995% *  0.4622% (0.13   0.02   0.02) =   0.045%
    Distance limit 4.37 A violated in 13 structures by 1.21 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   2.52 +/- 0.20 100.000% *100.0000% (0.87  10.0   3.86  73.52) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.64 +/- 0.12  99.933% * 99.8580% (0.98  10.0   4.20  73.52) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  13.24 +/- 1.63   0.065% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.41 +/- 0.59   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.6:
          HB    VAL  107 - HN    PHE   95   3.59 +/- 0.49  94.521% * 98.3876% (0.99   3.24  45.62) =  99.975%  kept
          HB3   PHE   45 - HN    PHE   95   7.12 +/- 0.94   5.293% *  0.4205% (0.69   0.02   1.89) =   0.024%
          QE    LYS+ 112 - HN    PHE   95  11.66 +/- 1.89   0.168% *  0.4205% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.56 +/- 0.67   0.012% *  0.2298% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.04 +/- 1.16   0.004% *  0.4205% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.25 +/- 0.82   0.002% *  0.1211% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.836, support = 4.15, residual support = 15.9:
          QG2   THR   94 - HN    PHE   95   2.75 +/- 0.23  83.262% * 79.1890% (0.87   4.13  14.39) =  95.255%  kept
          QG2   VAL  107 - HN    PHE   95   3.85 +/- 0.69  16.629% * 19.7494% (0.20   4.51  45.62) =   4.745%  kept
          HG13  ILE  103 - HN    PHE   95   9.44 +/- 1.54   0.080% *  0.2682% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.97 +/- 1.51   0.018% *  0.3965% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.62 +/- 1.75   0.008% *  0.2152% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.46 +/- 1.76   0.004% *  0.1818% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.87 +/- 0.19  99.790% * 98.9931% (0.65  10.0   3.08  25.28) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.98 +/- 1.42   0.087% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.11 +/- 0.98   0.037% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  13.06 +/- 0.86   0.013% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.76 +/- 1.18   0.017% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.44 +/- 1.33   0.023% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.82 +/- 0.81   0.022% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  16.94 +/- 1.62   0.004% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  16.96 +/- 1.27   0.003% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.52 +/- 1.70   0.003% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  19.78 +/- 1.16   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.84 +/- 0.63   0.001% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   3.20 +/- 0.59  99.008% * 98.8926% (0.95   2.96  27.15) =  99.993%  kept
          QE    LYS+ 111 - HN    THR   94  11.06 +/- 2.12   0.958% *  0.7071% (1.00   0.02   0.02) =   0.007%
          HB2   CYS   21 - HN    THR   94  13.04 +/- 1.20   0.033% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.548, support = 1.49, residual support = 25.8:
          HB3   PHE   45 - HN    THR   94   4.35 +/- 0.90  83.531% * 72.7480% (0.57   1.50  27.15) =  95.118%  kept
          HB    VAL  107 - HN    THR   94   6.61 +/- 0.88  14.792% * 21.0007% (0.20   1.24   0.02) =   4.862%  kept
          QE    LYS+ 112 - HN    THR   94  11.34 +/- 1.75   0.471% *  0.9700% (0.57   0.02   0.02) =   0.007%
          HG3   MET   96 - HN    THR   94   9.68 +/- 0.59   0.926% *  0.4764% (0.28   0.02   1.84) =   0.007%
          HB3   ASP-  62 - HN    THR   94  13.50 +/- 1.27   0.171% *  1.1769% (0.69   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    THR   94  13.73 +/- 0.51   0.100% *  1.6981% (0.99   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    THR   94  22.08 +/- 0.71   0.006% *  1.6981% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  26.22 +/- 1.51   0.002% *  0.2319% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.4, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.72 +/- 0.27  95.547% * 99.5171% (0.98  10.0   4.40  15.59) =  99.997%  kept
          HB    VAL  108 - HN    THR   94   7.66 +/- 1.69   3.495% *  0.0697% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    THR   94  10.40 +/- 2.40   0.611% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.26 +/- 1.58   0.181% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.43 +/- 1.44   0.064% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.94 +/- 1.14   0.069% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.03 +/- 0.52   0.016% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.03 +/- 1.34   0.013% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  23.30 +/- 1.27   0.002% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.49 +/- 0.52   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.12 +/- 1.61   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.892, support = 2.72, residual support = 15.4:
      O   HB3   PRO   93 - HN    THR   94   3.86 +/- 0.33  77.524% * 94.5744% (0.90  10.0   2.74  15.59) =  98.722%  kept
          HB3   ASP-  44 - HN    THR   94   5.05 +/- 0.60  20.623% *  4.5961% (0.49   1.0   1.79   0.02) =   1.276%  kept
          QB    ALA   84 - HN    THR   94   8.52 +/- 1.05   0.858% *  0.0915% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  10.89 +/- 0.94   0.199% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.59 +/- 1.30   0.153% *  0.0682% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  10.85 +/- 1.47   0.247% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  11.39 +/- 0.60   0.127% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.22 +/- 1.85   0.082% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.47 +/- 1.59   0.055% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.19 +/- 1.18   0.094% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  16.69 +/- 1.91   0.017% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  19.68 +/- 1.52   0.006% *  0.0682% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.28 +/- 0.93   0.004% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.95 +/- 0.87   0.003% *  0.0513% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.98 +/- 0.73   0.008% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.49 +/- 1.30   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.345, support = 3.49, residual support = 25.1:
          QG2   THR   94 - HN    THR   94   3.91 +/- 0.16  95.710% * 65.5791% (0.34   3.52  25.28) =  99.072%  kept
          HG12  ILE   89 - HN    THR   94   7.85 +/- 0.70   1.806% * 31.3322% (0.76   0.75   5.50) =   0.893%  kept
          HG3   LYS+ 111 - HN    THR   94  11.04 +/- 2.34   2.201% *  0.9132% (0.84   0.02   0.02) =   0.032%
          HD2   LYS+ 112 - HN    THR   94  13.41 +/- 2.17   0.136% *  0.7939% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HN    THR   94  13.36 +/- 1.81   0.110% *  0.3374% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    THR   94  16.43 +/- 1.48   0.025% *  0.8754% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.97 +/- 1.43   0.012% *  0.1687% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   4.71 +/- 0.66  99.369% * 99.1801% (0.90   0.75   5.50) =  99.995%  kept
          QG1   VAL   83 - HN    THR   94  11.50 +/- 0.85   0.631% *  0.8199% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.46 A violated in 3 structures by 0.44 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.172, support = 3.58, residual support = 59.0:
          HG3   MET   92 - HN    MET   92   3.88 +/- 0.50  94.676% * 45.6583% (0.14   3.74  62.13) =  94.923%  kept
          QG    GLN   90 - HN    MET   92   6.65 +/- 0.52   5.160% * 44.7563% (0.87   0.57   0.02) =   5.071%  kept
          HB2   ASP-  44 - HN    MET   92  12.49 +/- 0.92   0.115% *  1.7666% (0.98   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    MET   92  15.95 +/- 1.47   0.031% *  0.9482% (0.53   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    MET   92  18.46 +/- 1.50   0.012% *  1.6637% (0.92   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.25 +/- 1.45   0.002% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.94 +/- 1.76   0.001% *  1.7393% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  24.50 +/- 0.85   0.002% *  0.3567% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  34.44 +/- 2.12   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 62.1:
      O   HB2   MET   92 - HN    MET   92   2.67 +/- 0.71  98.864% * 99.5386% (1.00  10.0   3.65  62.13) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.56 +/- 0.64   0.914% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.92 +/- 2.18   0.117% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.04 +/- 2.59   0.056% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  12.08 +/- 1.86   0.028% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.28 +/- 1.23   0.019% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.05 +/- 0.57   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  30.31 +/- 0.83   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.07 +/- 0.69   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.25 +/- 2.02   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  38.60 +/- 2.18   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.01, residual support = 62.1:
      O   HB3   MET   92 - HN    MET   92   3.54 +/- 0.34  91.504% * 99.1115% (0.57  10.0   4.01  62.13) =  99.996%  kept
          HG3   PRO   93 - HN    MET   92   5.56 +/- 0.81   7.408% *  0.0346% (0.20   1.0   0.02   1.77) =   0.003%
          QG1   ILE   56 - HN    MET   92  10.27 +/- 1.75   0.304% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    MET   92   8.38 +/- 0.64   0.612% *  0.0437% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.08 +/- 2.60   0.118% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  13.54 +/- 1.73   0.037% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  17.40 +/- 1.20   0.009% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  23.04 +/- 0.91   0.001% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  23.15 +/- 2.94   0.003% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.77 +/- 0.68   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 8.96:
          QB    ALA   91 - HN    MET   92   3.05 +/- 0.27  99.236% * 96.1615% (1.00   3.04   8.96) =  99.997%  kept
          QG2   ILE   56 - HN    MET   92   8.11 +/- 1.80   0.731% *  0.4362% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    MET   92  13.06 +/- 1.54   0.024% *  0.4108% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.36 +/- 1.50   0.001% *  0.5508% (0.87   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  22.31 +/- 0.86   0.001% *  0.6336% (1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  17.20 +/- 1.11   0.004% *  0.1257% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  20.21 +/- 0.45   0.001% *  0.3091% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  24.30 +/- 1.68   0.001% *  0.3852% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  25.98 +/- 0.60   0.000% *  0.4362% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  30.81 +/- 1.42   0.000% *  0.5508% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 7.76:
          HA    ILE   89 - HN    ALA   91   3.73 +/- 0.46  99.505% * 96.1997% (0.61   2.49   7.76) =  99.999%  kept
          HB    THR  118 - HN    ALA   91  15.50 +/- 1.63   0.031% *  1.2057% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  14.25 +/- 1.52   0.067% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  10.89 +/- 1.69   0.281% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  15.83 +/- 1.48   0.054% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.36 +/- 0.53   0.026% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  15.68 +/- 1.02   0.024% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  25.29 +/- 1.24   0.001% *  0.5714% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  27.30 +/- 0.91   0.001% *  0.7730% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  19.53 +/- 1.63   0.008% *  0.0647% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.24 +/- 2.01   0.001% *  0.5240% (0.41   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  23.52 +/- 1.64   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.721, support = 4.96, residual support = 32.3:
          HB2   GLN   90 - HN    ALA   91   4.04 +/- 0.28  67.174% * 95.8493% (0.73   4.97  32.51) =  99.238%  kept
          HB2   GLU-  25 - HN    TRP   27   4.91 +/- 0.10  21.122% *  2.3164% (0.02   3.57   0.38) =   0.754%  kept
          HG3   GLU-  29 - HN    TRP   27   6.22 +/- 0.49   5.694% *  0.0589% (0.11   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    TRP   27   6.42 +/- 0.37   4.684% *  0.0345% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    TRP   27   8.58 +/- 1.40   1.116% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  14.79 +/- 2.10   0.134% *  0.1052% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.31 +/- 0.34   0.054% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.13 +/- 1.25   0.002% *  0.4766% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.06 +/- 1.28   0.002% *  0.2796% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  18.78 +/- 2.04   0.009% *  0.0477% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.24 +/- 0.41   0.006% *  0.0621% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  22.11 +/- 1.49   0.003% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  29.22 +/- 0.89   0.000% *  0.5027% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.08 +/- 0.63   0.001% *  0.1325% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 32.5:
          HB3   GLN   90 - HN    ALA   91   3.28 +/- 0.51  87.146% * 96.1752% (0.99   4.97  32.51) =  99.993%  kept
          HB2   MET   92 - HN    ALA   91   6.13 +/- 0.82   5.260% *  0.0603% (0.15   0.02   8.96) =   0.004%
          HB3   GLN   30 - HN    TRP   27   5.33 +/- 0.58   6.689% *  0.0120% (0.03   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   91  10.70 +/- 1.57   0.139% *  0.3770% (0.97   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  10.52 +/- 2.21   0.127% *  0.3695% (0.95   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   91  15.16 +/- 2.08   0.101% *  0.3770% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  10.98 +/- 2.74   0.131% *  0.0974% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.53 +/- 0.66   0.208% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.41 +/- 2.01   0.036% *  0.2212% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.48 +/- 0.91   0.117% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  17.20 +/- 2.19   0.006% *  0.3695% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  16.89 +/- 1.57   0.005% *  0.3829% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.68 +/- 0.93   0.001% *  0.3907% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  18.89 +/- 2.56   0.008% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  19.49 +/- 1.06   0.003% *  0.0974% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.99 +/- 1.25   0.007% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.53 +/- 1.52   0.004% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  26.60 +/- 1.62   0.000% *  0.3606% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  23.12 +/- 2.24   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.89 +/- 1.51   0.002% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.79 +/- 2.44   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.48 +/- 0.43   0.003% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.34 +/- 0.94   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  23.28 +/- 0.66   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  23.07 +/- 1.30   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  20.26 +/- 1.42   0.002% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.80 +/- 2.07   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  28.02 +/- 2.81   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.07 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   2.24 +/- 0.20  99.286% * 99.2924% (0.92  10.0   3.08  12.95) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.37 +/- 0.32   0.635% *  0.0055% (0.05   1.0   0.02   1.94) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.08 +/- 1.73   0.023% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.35 +/- 2.12   0.014% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.77 +/- 0.27   0.017% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  11.10 +/- 0.52   0.008% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.65 +/- 0.73   0.010% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  16.57 +/- 1.73   0.001% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  18.64 +/- 0.56   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.97 +/- 0.97   0.002% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  21.06 +/- 1.93   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.31 +/- 0.88   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.05 +/- 2.11   0.003% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  16.93 +/- 1.01   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.91 +/- 1.61   0.000% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.42 +/- 1.77   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.32 +/- 0.86   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  23.99 +/- 0.97   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  28.73 +/- 1.45   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.95 +/- 1.16   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.9:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.989% * 99.2019% (0.18  10.0   5.16 159.91) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.27 +/- 1.43   0.010% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  20.59 +/- 1.58   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.31 +/- 0.19  99.744% * 99.3899% (0.61  10.0   3.13  12.52) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  10.62 +/- 2.07   0.220% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  13.97 +/- 1.71   0.022% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.16 +/- 1.86   0.003% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.45 +/- 1.52   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  19.49 +/- 1.67   0.003% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.81 +/- 2.43   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.62 +/- 1.74   0.003% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.94 +/- 1.37   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.07 +/- 0.56  99.993% * 99.6785% (0.28  10.0   3.13  12.52) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.29 +/- 1.75   0.007% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.98 +/- 0.61   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  17.27 +/- 2.09  14.050% * 13.6482% (0.95   0.02   0.02) =  19.984%  kept
          HB    ILE   19 - HN    LYS+ 102  16.79 +/- 1.65  16.118% * 11.0262% (0.76   0.02   0.02) =  18.521%  kept
          HG2   PRO   68 - HN    LYS+ 102  17.53 +/- 2.97  16.533% *  9.9106% (0.69   0.02   0.02) =  17.076%  kept
          QB    GLU- 114 - HN    LYS+ 102  18.12 +/- 1.25  11.245% * 12.0512% (0.84   0.02   0.02) =  14.123%  kept
          HG3   GLN   30 - HN    LYS+ 102  15.88 +/- 2.05  23.764% *  3.5976% (0.25   0.02   0.02) =   8.910%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.68 +/- 2.16   9.206% *  8.7509% (0.61   0.02   0.02) =   8.396%  kept
          HB3   GLU-  25 - HN    LYS+ 102  21.83 +/- 1.72   3.321% * 14.4279% (1.00   0.02   0.02) =   4.994%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.91 +/- 1.53   3.045% * 13.6482% (0.95   0.02   0.02) =   4.331%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.88 +/- 1.82   2.719% * 12.9393% (0.90   0.02   0.02) =   3.666%  kept
    Distance limit 4.38 A violated in 20 structures by 7.79 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 = 159.9:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.57 +/- 0.10  98.953% * 99.4444% (0.98  10.0   4.65 159.91) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.07 +/- 0.62   0.740% *  0.0455% (0.45   1.0   0.02  22.38) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   8.13 +/- 2.13   0.293% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  12.59 +/- 1.52   0.011% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.53 +/- 1.28   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.29 +/- 1.06   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.40 +/- 0.72   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.93 +/- 1.53   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  21.84 +/- 4.53   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  28.02 +/- 1.56   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.94, residual support = 121.9:
          HG2   LYS+ 102 - HN    LYS+ 102   3.64 +/- 0.54  63.351% * 59.7589% (0.28   4.42 159.91) =  75.825%  kept
          QB    LEU   98 - HN    LYS+ 102   4.30 +/- 0.92  36.542% * 33.0291% (0.28   2.44   2.86) =  24.174%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  16.13 +/- 5.55   0.030% *  0.5512% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  12.96 +/- 1.22   0.038% *  0.3654% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  16.58 +/- 1.95   0.010% *  0.9714% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.79 +/- 1.91   0.012% *  0.7440% (0.76   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.55 +/- 0.97   0.003% *  0.8731% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  20.09 +/- 1.73   0.003% *  0.9650% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.65 +/- 1.45   0.003% *  0.9714% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.72 +/- 1.97   0.004% *  0.5512% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  19.81 +/- 1.55   0.003% *  0.7070% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  19.49 +/- 1.29   0.003% *  0.5122% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.343, support = 2.32, residual support = 2.24:
          QD1   LEU   98 - HN    LYS+ 102   4.04 +/- 1.07  53.049% * 67.5920% (0.18   2.92   2.86) =  78.088%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.19 +/- 0.82  43.266% * 23.1692% (0.95   0.19   0.02) =  21.831%  kept
          QG1   VAL   41 - HN    LYS+ 102   7.62 +/- 1.65   2.954% *  0.9013% (0.34   0.02   0.02) =   0.058%
          QG1   VAL   43 - HN    LYS+ 102   8.93 +/- 1.16   0.685% *  1.3901% (0.53   0.02   0.02) =   0.021%
          QD1   ILE   19 - HN    LYS+ 102  15.03 +/- 1.85   0.029% *  2.6363% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+ 102  16.65 +/- 1.21   0.012% *  2.0192% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.80 +/- 1.17   0.005% *  2.2919% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.21, residual support = 38.8:
      O   HA    ILE   89 - HN    GLN   90   2.48 +/- 0.38  99.973% * 99.5753% (0.61  10.0   6.21  38.83) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.56 +/- 1.34   0.025% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  16.05 +/- 1.53   0.002% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  24.14 +/- 1.27   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  25.99 +/- 1.06   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.38 +/- 2.20   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.67, residual support = 89.9:
          QG    GLN   90 - HN    GLN   90   2.48 +/- 0.61  99.835% * 97.8063% (0.90   5.67  89.92) = 100.000%  kept
          HG3   MET   92 - HN    GLN   90   9.02 +/- 0.78   0.118% *  0.2333% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLN   90  11.77 +/- 1.47   0.037% *  0.2793% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  17.51 +/- 1.86   0.003% *  0.3213% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  17.20 +/- 1.51   0.002% *  0.3812% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  15.90 +/- 1.69   0.004% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.18 +/- 1.34   0.001% *  0.2793% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  25.07 +/- 2.66   0.000% *  0.2940% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  23.14 +/- 1.94   0.000% *  0.2333% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  33.49 +/- 2.78   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.58, residual support = 89.9:
      O   HB3   GLN   90 - HN    GLN   90   3.50 +/- 0.26  97.600% * 99.1031% (0.92  10.0   5.58  89.92) =  99.999%  kept
          HB2   MET   92 - HN    GLN   90   7.58 +/- 0.77   1.608% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   9.52 +/- 1.55   0.430% *  0.1036% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90  10.41 +/- 2.26   0.260% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  14.36 +/- 2.07   0.031% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.84 +/- 2.20   0.030% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  16.44 +/- 2.43   0.013% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  16.72 +/- 1.53   0.009% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  17.94 +/- 1.39   0.007% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  21.34 +/- 1.13   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  20.00 +/- 2.61   0.008% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  26.10 +/- 1.61   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.18 +/- 0.92   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.06, residual support = 38.8:
          QG2   ILE   89 - HN    GLN   90   2.33 +/- 0.59 100.000% *100.0000% (0.65   7.06  38.83) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.65, residual support = 38.8:
          QD1   ILE   89 - HN    GLN   90   4.08 +/- 0.48  92.459% * 99.5276% (0.49   5.65  38.83) =  99.985%  kept
          QG2   VAL   83 - HN    GLN   90   8.17 +/- 1.50   6.038% *  0.1804% (0.25   0.02   0.02) =   0.012%
          QG2   VAL   75 - HN    GLN   90   8.86 +/- 1.38   1.429% *  0.1804% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    GLN   90  14.02 +/- 0.71   0.075% *  0.1116% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 7.7:
      O   HA    ALA   88 - HN    ILE   89   3.14 +/- 0.20  96.650% * 99.4024% (0.99  10.0   4.13   7.70) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.68 +/- 0.70   3.153% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ILE   89  14.30 +/- 2.82   0.101% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   89  10.49 +/- 0.70   0.074% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  15.25 +/- 1.60   0.010% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  18.21 +/- 2.13   0.006% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  20.27 +/- 0.80   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  19.20 +/- 0.62   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  22.85 +/- 0.51   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.78 +/- 1.44   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  23.86 +/- 2.19   0.001% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  21.84 +/- 0.86   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  25.57 +/- 2.08   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 214.5:
      O   HA    ILE   89 - HN    ILE   89   2.68 +/- 0.17  99.996% * 99.5011% (0.34  10.0   6.00 214.51) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  17.46 +/- 2.00   0.002% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  16.99 +/- 1.60   0.002% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.00 +/- 0.79   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.49 +/- 1.02   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  28.00 +/- 2.44   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 214.5:
      O   HB    ILE   89 - HN    ILE   89   2.66 +/- 0.41  99.901% * 99.6919% (0.45  10.0   5.57 214.51) = 100.000%  kept
          HB    VAL   43 - HN    ILE   89   9.89 +/- 0.79   0.051% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89  10.18 +/- 0.93   0.047% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.37 +/- 1.44   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 214.5:
          HG12  ILE   89 - HN    ILE   89   2.14 +/- 0.58  99.271% * 97.9023% (0.76   5.72 214.51) =  99.998%  kept
          HG2   LYS+  74 - HN    ILE   89  12.84 +/- 2.63   0.458% *  0.3883% (0.87   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   89   6.89 +/- 0.83   0.266% *  0.1382% (0.31   0.02   7.76) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  16.55 +/- 2.62   0.002% *  0.3075% (0.69   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  19.29 +/- 2.06   0.002% *  0.2896% (0.65   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  21.22 +/- 1.69   0.001% *  0.4015% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.31 +/- 1.30   0.000% *  0.3739% (0.84   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  19.22 +/- 0.80   0.001% *  0.1382% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.14 +/- 1.55   0.000% *  0.0606% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 214.5:
          QG2   ILE   89 - HN    ILE   89   3.64 +/- 0.17  97.930% * 99.7858% (1.00   6.34 214.51) =  99.997%  kept
          QG1   VAL   83 - HN    ILE   89   7.55 +/- 0.90   2.055% *  0.1656% (0.53   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ILE   89  16.21 +/- 1.38   0.015% *  0.0486% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.52, residual support = 214.5:
          HG13  ILE   89 - HN    ILE   89   3.45 +/- 0.51 100.000% *100.0000% (0.90   5.52 214.51) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.12 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.3:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.04  99.977% * 99.0917% (0.84  10.0   1.63  11.34) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.80 +/- 0.37   0.015% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  16.29 +/- 3.03   0.006% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  19.80 +/- 2.31   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  17.55 +/- 1.79   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.03 +/- 0.58   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  19.95 +/- 1.14   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  22.90 +/- 0.59   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.85 +/- 1.45   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  22.91 +/- 0.83   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.89, residual support = 11.3:
      O   QB    ALA   88 - HN    ALA   88   2.88 +/- 0.09  94.902% * 99.0713% (0.73  10.0   1.89  11.34) =  99.999%  kept
          QB    ALA   84 - HN    ALA   88   4.85 +/- 0.31   4.623% *  0.0222% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ALA   88   9.65 +/- 1.08   0.212% *  0.0991% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   88   8.27 +/- 0.99   0.230% *  0.0492% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  13.83 +/- 1.57   0.014% *  0.0646% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  16.01 +/- 1.25   0.004% *  0.1204% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  18.47 +/- 3.02   0.003% *  0.1293% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  14.25 +/- 2.50   0.011% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  21.64 +/- 1.76   0.001% *  0.1442% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.58 +/- 1.58   0.001% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.15 +/- 1.46   0.000% *  0.1413% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.24 +/- 2.02   0.000% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 70.4:
      O   HB2   TRP   87 - HN    TRP   87   3.71 +/- 0.02  99.487% * 99.8429% (0.73  10.0   3.84  70.38) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  13.32 +/- 2.41   0.500% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  17.93 +/- 1.71   0.010% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  23.13 +/- 2.98   0.002% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.94, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.63 +/- 0.14  99.953% * 97.4796% (0.80   3.94  22.50) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  14.09 +/- 1.66   0.010% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.57 +/- 1.88   0.031% *  0.0955% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  14.39 +/- 1.41   0.004% *  0.6187% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.23 +/- 1.25   0.001% *  0.6064% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  22.96 +/- 2.73   0.000% *  0.5971% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  19.58 +/- 2.06   0.001% *  0.2774% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 70.4:
      O   HB3   TRP   87 - HN    TRP   87   3.00 +/- 0.10  99.995% * 99.8532% (1.00  10.0   3.71  70.38) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  16.22 +/- 0.95   0.004% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.24 +/- 2.20   0.001% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.25, residual support = 5.18:
          QB    ALA   88 - HN    TRP   87   4.43 +/- 0.12  95.038% * 96.6992% (0.53   2.25   5.19) =  99.924%  kept
          QG2   THR   77 - HN    TRP   87   7.75 +/- 1.03   4.640% *  1.4636% (0.90   0.02   0.02) =   0.074%
          QG2   THR   23 - HN    TRP   87  13.44 +/- 1.56   0.212% *  0.8586% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  14.45 +/- 1.29   0.091% *  0.3633% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  20.36 +/- 2.30   0.013% *  0.2518% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  23.59 +/- 2.10   0.005% *  0.3633% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.796, support = 2.05, residual support = 17.1:
          QD1   ILE   89 - HN    TRP   87   4.05 +/- 0.39  59.397% * 77.8357% (0.76   2.33  18.54) =  84.250%  kept
          QG2   VAL   83 - HN    TRP   87   4.40 +/- 0.72  40.364% * 21.4070% (0.97   0.51   9.51) =  15.746%  kept
          QD2   LEU   31 - HN    TRP   87  10.64 +/- 1.43   0.239% *  0.7573% (0.87   0.02   2.03) =   0.003%
    Distance limit 4.17 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 = 0.466, support = 0.896, residual support = 10.1:
          QG2   VAL   83 - HE1   TRP   87   2.06 +/- 0.62  97.842% * 24.1677% (0.45   0.84   9.51) =  93.528%  kept
          QD1   ILE   89 - HE1   TRP   87   4.67 +/- 0.54   2.158% * 75.8323% (0.73   1.64  18.54) =   6.472%  kept
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.31, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   3.00 +/- 0.09  94.912% * 83.9919% (0.76   3.33  13.43) =  99.339%  kept
          HA    ALA   88 - HN    ASP-  86   5.10 +/- 0.18   4.080% * 12.9659% (0.69   0.57   0.02) =   0.659%  kept
          HB2   SER   82 - HN    ASP-  86   6.65 +/- 0.34   0.910% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  10.60 +/- 1.27   0.057% *  0.1018% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  15.96 +/- 2.72   0.019% *  0.2957% (0.45   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  14.10 +/- 2.13   0.018% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.53 +/- 1.54   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  18.19 +/- 2.12   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  25.93 +/- 1.58   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  26.83 +/- 1.42   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.40 +/- 2.04   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.7:
          HA    VAL   83 - HN    ASP-  86   3.01 +/- 0.17  99.991% * 95.3191% (0.61   2.25  10.73) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.91 +/- 1.64   0.003% *  1.3482% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  17.26 +/- 0.87   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.50 +/- 1.66   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  20.87 +/- 2.15   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.63 +/- 2.28   0.001% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.04, residual support = 41.8:
      O   HB2   ASP-  86 - HN    ASP-  86   2.65 +/- 0.24  99.972% * 99.6258% (0.98  10.0   5.04  41.83) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.50 +/- 1.62   0.007% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.50 +/- 1.43   0.019% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.34 +/- 1.23   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  19.90 +/- 2.21   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  24.26 +/- 2.69   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.8:
      O   HB3   ASP-  86 - HN    ASP-  86   2.68 +/- 0.62  99.942% * 99.2823% (0.41  10.0   3.56  41.83) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  12.00 +/- 2.82   0.054% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.34 +/- 1.18   0.003% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  24.39 +/- 1.20   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.04 +/- 1.34   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.2:
      O   QB    SER   85 - HN    SER   85   2.18 +/- 0.07  98.880% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.98 +/- 0.33   0.797% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.74 +/- 0.14   0.306% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85  10.56 +/- 1.48   0.009% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.59 +/- 2.26   0.003% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  12.69 +/- 2.01   0.005% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.37 +/- 1.34   0.000% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  19.65 +/- 1.18   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  26.29 +/- 1.72   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.33 +/- 1.61   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  27.97 +/- 1.99   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 +/- 0.03  99.789% * 99.3529% (0.49  10.0   3.27  20.74) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  10.76 +/- 0.89   0.189% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  18.00 +/- 1.45   0.008% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  17.98 +/- 2.81   0.010% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  24.22 +/- 2.28   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  23.39 +/- 2.25   0.002% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.89 +/- 1.67   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.72 +/- 0.13  99.517% * 95.9098% (1.00   3.87  20.74) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.81 +/- 0.39   0.457% *  0.2615% (0.53   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    SER   85  14.58 +/- 1.14   0.005% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  16.23 +/- 2.41   0.003% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   85  15.61 +/- 1.22   0.003% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.49 +/- 0.89   0.005% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.89 +/- 2.97   0.003% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  15.72 +/- 1.38   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.45 +/- 0.68   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  21.51 +/- 3.09   0.001% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  21.99 +/- 1.27   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  21.17 +/- 3.07   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  21.16 +/- 1.37   0.001% *  0.1239% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.69 +/- 2.16   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.00 +/- 2.38   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  26.36 +/- 2.44   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 17.9:
      O   HA    ALA   84 - HN    ALA   84   2.77 +/- 0.04  99.825% * 99.3529% (0.49  10.0   3.89  17.91) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.32 +/- 0.74   0.169% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  16.96 +/- 1.32   0.002% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.85 +/- 2.26   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  23.18 +/- 2.23   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.72 +/- 2.06   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.57 +/- 1.32   0.000% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 41.9:
          HB    VAL   83 - HN    ALA   84   3.13 +/- 0.28  99.922% * 97.8549% (0.99   5.34  41.93) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  12.89 +/- 1.24   0.033% *  0.1519% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.51 +/- 0.94   0.011% *  0.1944% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.65 +/- 1.08   0.019% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.79 +/- 2.90   0.004% *  0.2683% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.47 +/- 1.96   0.008% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  22.95 +/- 1.90   0.001% *  0.3565% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  23.62 +/- 1.33   0.001% *  0.3662% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  24.43 +/- 2.35   0.001% *  0.3495% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.45 +/- 2.68   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.38 +/- 2.87   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.46 +/- 2.46   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.08 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 17.9:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.05  98.804% * 99.0428% (0.87  10.0   4.19  17.91) = 100.000%  kept
          HB3   LEU   80 - HN    ALA   84   4.30 +/- 0.38   1.189% *  0.0317% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  12.58 +/- 0.75   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.98 +/- 0.92   0.002% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.67 +/- 1.06   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  15.38 +/- 2.18   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.62 +/- 2.45   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.96 +/- 0.72   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.37 +/- 1.45   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.26 +/- 2.62   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  19.44 +/- 1.34   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  20.58 +/- 1.16   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.15 +/- 2.19   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  24.60 +/- 1.94   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.12 +/- 2.52   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.03 +/- 1.98   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.689, support = 5.94, residual support = 41.6:
          QG1   VAL   83 - HN    ALA   84   4.02 +/- 0.42  85.854% * 93.4757% (0.69   5.99  41.93) =  99.123%  kept
          QD2   LEU   80 - HN    ALA   84   5.59 +/- 0.30  13.909% *  5.0996% (0.95   0.24   0.02) =   0.876%  kept
          QD1   LEU   73 - HN    ALA   84  11.45 +/- 0.65   0.183% *  0.2757% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  16.15 +/- 1.81   0.028% *  0.2757% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.16 +/- 2.18   0.015% *  0.4196% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  18.41 +/- 1.34   0.011% *  0.4536% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 6.28, residual support = 41.7:
          QG2   VAL   83 - HN    ALA   84   3.31 +/- 0.61  94.302% * 88.2947% (0.76   6.31  41.93) =  99.366%  kept
          QD1   ILE   89 - HN    ALA   84   5.96 +/- 0.63   4.705% * 11.2583% (0.49   1.26  13.62) =   0.632%  kept
          QG2   VAL   43 - HN    ALA   84   7.87 +/- 1.03   0.822% *  0.0816% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84  10.63 +/- 1.19   0.171% *  0.3655% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 20.3:
          HB2   SER   82 - HN    VAL   83   3.34 +/- 0.19  99.618% * 97.0135% (0.75   4.10  20.28) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.97 +/- 0.60   0.298% *  0.2677% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  14.04 +/- 2.23   0.048% *  0.3787% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  14.67 +/- 1.93   0.017% *  0.4635% (0.74   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.42 +/- 0.52   0.004% *  0.4687% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.38 +/- 2.34   0.006% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  20.08 +/- 1.89   0.002% *  0.4241% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.21 +/- 1.45   0.004% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  22.88 +/- 1.12   0.001% *  0.2868% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.14 +/- 1.75   0.000% *  0.2868% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.19 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   2.77 +/- 0.02  99.993% * 99.4506% (0.46  10.0   4.70  87.03) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.53 +/- 1.61   0.004% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  17.49 +/- 1.25   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.25 +/- 1.64   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  21.79 +/- 1.89   0.000% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.55 +/- 1.73   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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   2.45 +/- 0.46  99.986% * 99.4176% (0.75  10.0   4.77  87.03) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  13.99 +/- 1.09   0.006% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.72 +/- 1.29   0.002% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  19.10 +/- 3.15   0.001% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  15.82 +/- 1.16   0.003% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  23.88 +/- 1.75   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.82 +/- 1.94   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  23.47 +/- 1.97   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  26.07 +/- 2.44   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.66 +/- 2.45   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.08 +/- 2.59   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.60 +/- 2.64   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 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   4.28 +/- 0.99  98.709% *  2.8578% (0.19   0.02   0.02) =  97.445%  kept
          HB3   LYS+  74 - HN    VAL   83  13.23 +/- 1.09   0.766% *  4.7118% (0.31   0.02   0.02) =   1.247%  kept
          HB3   LEU   73 - HN    VAL   83  12.91 +/- 1.16   0.189% *  9.9416% (0.65   0.02   0.02) =   0.647%  kept
          QB    LEU   98 - HN    VAL   83  14.70 +/- 1.57   0.083% *  7.8727% (0.52   0.02   0.02) =   0.225%
          HB    VAL   42 - HN    VAL   83  17.86 +/- 1.05   0.029% * 10.5799% (0.70   0.02   0.02) =   0.105%
          HB3   PRO   93 - HN    VAL   83  16.79 +/- 1.20   0.149% *  1.7684% (0.12   0.02   0.02) =   0.091%
          HG3   LYS+  33 - HN    VAL   83  18.75 +/- 1.90   0.019% * 11.0607% (0.73   0.02   0.02) =   0.074%
          HG3   LYS+ 106 - HN    VAL   83  18.13 +/- 2.28   0.025% *  7.4142% (0.49   0.02   0.02) =   0.065%
          HG3   LYS+ 102 - HN    VAL   83  21.62 +/- 2.86   0.012% *  9.5730% (0.63   0.02   0.02) =   0.040%
          HG3   LYS+  65 - HN    VAL   83  25.66 +/- 1.88   0.007% * 10.5799% (0.70   0.02   0.02) =   0.024%
          QB    ALA   12 - HN    VAL   83  25.74 +/- 1.80   0.006% * 10.5799% (0.70   0.02   0.02) =   0.021%
          HB2   LYS+ 112 - HN    VAL   83  26.29 +/- 2.18   0.004% *  8.7588% (0.58   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    VAL   83  26.30 +/- 3.04   0.003% *  4.3014% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.74 A violated in 4 structures by 0.66 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 = 0.747, support = 5.32, residual support = 86.8:
          QG1   VAL   83 - HN    VAL   83   2.36 +/- 0.33  96.200% * 94.0108% (0.75   5.34  87.03) =  99.781%  kept
          QD2   LEU   80 - HN    VAL   83   4.90 +/- 1.01   3.669% *  5.4101% (0.31   0.74   0.02) =   0.219%
          QG2   ILE   89 - HN    VAL   83   7.52 +/- 0.42   0.130% *  0.2156% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  19.15 +/- 1.50   0.000% *  0.2300% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  19.80 +/- 2.25   0.000% *  0.1334% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.24, residual support = 87.0:
          QG2   VAL   83 - HN    VAL   83   3.35 +/- 0.65  98.713% * 99.3914% (0.74   5.24  87.03) =  99.995%  kept
          QD1   ILE   89 - HN    VAL   83   7.74 +/- 0.67   1.006% *  0.3737% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   31 - HN    VAL   83  10.27 +/- 1.82   0.281% *  0.2349% (0.46   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.04, residual support = 33.4:
      O   HB2   SER   82 - HN    SER   82   2.13 +/- 0.13  99.983% * 99.3063% (0.87  10.0   4.04  33.45) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.79 +/- 0.57   0.013% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  13.67 +/- 1.87   0.003% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  16.24 +/- 1.29   0.001% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.95 +/- 0.60   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.97 +/- 1.28   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  19.35 +/- 1.62   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.21 +/- 1.50   0.000% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.94 +/- 0.81   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  27.57 +/- 1.79   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.08 +/- 1.30   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.43, residual support = 33.4:
      O   HB3   SER   82 - HN    SER   82   3.03 +/- 0.19  99.931% * 99.2682% (0.69  10.0   3.43  33.45) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.04 +/- 0.84   0.063% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.26 +/- 1.07   0.003% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.13 +/- 1.74   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  24.40 +/- 1.16   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.79 +/- 1.23   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.64 +/- 1.66   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  28.03 +/- 1.44   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.38, residual support = 11.9:
          QB    LYS+  81 - HN    SER   82   2.83 +/- 0.26  99.925% * 96.2156% (0.97   4.38  11.89) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  12.06 +/- 3.08   0.058% *  0.4203% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  14.82 +/- 1.17   0.006% *  0.2395% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  17.13 +/- 1.93   0.003% *  0.4463% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  15.94 +/- 1.45   0.004% *  0.1709% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.57 +/- 1.16   0.002% *  0.3949% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  20.41 +/- 2.40   0.001% *  0.3127% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  21.72 +/- 1.64   0.001% *  0.3306% (0.73   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.73 +/- 1.68   0.000% *  0.3949% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  23.34 +/- 1.68   0.000% *  0.3479% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  27.37 +/- 1.43   0.000% *  0.3306% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.20 +/- 1.13   0.000% *  0.2945% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.88 +/- 1.57   0.000% *  0.1014% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.934, support = 4.38, residual support = 19.4:
          QG1   VAL   83 - HN    SER   82   4.35 +/- 0.39  80.084% * 81.8806% (0.95   4.53  20.28) =  95.518%  kept
          QD2   LEU   80 - HN    SER   82   5.89 +/- 0.67  17.913% * 17.1625% (0.69   1.31   0.02) =   4.478%  kept
          QG2   ILE   89 - HN    SER   82   8.31 +/- 0.55   1.859% *  0.1305% (0.34   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    SER   82  13.19 +/- 0.86   0.114% *  0.1180% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  21.05 +/- 1.24   0.007% *  0.3430% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  20.88 +/- 2.19   0.008% *  0.2474% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  18.79 +/- 1.76   0.015% *  0.1180% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.18, residual support = 101.9:
      O   QB    LYS+  81 - HN    LYS+  81   2.51 +/- 0.22  98.896% * 99.1460% (0.97  10.0   5.18 101.90) =  99.999%  kept
          HB3   GLN   90 - HN    LYS+  81  11.98 +/- 3.22   1.094% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  81  14.52 +/- 0.87   0.003% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  17.21 +/- 1.79   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.00 +/- 1.72   0.003% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.42 +/- 0.93   0.001% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.01 +/- 1.72   0.001% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.55 +/- 1.56   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.06 +/- 2.01   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.34 +/- 1.12   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.64 +/- 0.99   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  29.57 +/- 1.00   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.42 +/- 1.59   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.97, residual support = 101.9:
          QG    LYS+  81 - HN    LYS+  81   2.18 +/- 0.43  99.995% * 98.7794% (0.97   4.97 101.90) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.76 +/- 0.79   0.004% *  0.1405% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  19.67 +/- 1.99   0.000% *  0.3801% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  20.33 +/- 0.83   0.000% *  0.3895% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  23.78 +/- 1.95   0.000% *  0.1271% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.16 +/- 0.91   0.000% *  0.0917% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.85 +/- 2.10   0.000% *  0.0917% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.356, support = 4.78, residual support = 30.9:
          QD2   LEU   80 - HN    LYS+  81   5.26 +/- 0.62  26.126% * 75.0536% (0.53   4.73  30.93) =  54.125%  kept
          QD1   LEU   80 - HN    LYS+  81   4.27 +/- 0.33  73.625% * 22.5721% (0.15   4.85  30.93) =  45.872%  kept
          QD1   LEU   73 - HN    LYS+  81  12.88 +/- 0.73   0.101% *  0.5410% (0.90   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LYS+  81  14.42 +/- 0.70   0.051% *  0.1677% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  18.06 +/- 1.69   0.015% *  0.5410% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.38 +/- 1.48   0.061% *  0.0931% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  19.67 +/- 1.67   0.009% *  0.5039% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  20.10 +/- 2.12   0.008% *  0.3415% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.24 +/- 1.09   0.005% *  0.1862% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.09 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.581, support = 3.97, residual support = 16.7:
          HB2   ASP-  78 - HN    GLU-  79   3.02 +/- 0.49  56.197% * 76.8058% (0.60   4.52  19.94) =  81.437%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.19 +/- 0.58  43.776% * 22.4746% (0.51   1.55   2.32) =  18.563%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.84 +/- 0.97   0.019% *  0.0469% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  14.43 +/- 0.54   0.005% *  0.1424% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.81 +/- 1.29   0.001% *  0.1823% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.46 +/- 2.24   0.001% *  0.0963% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.32 +/- 0.76   0.000% *  0.2516% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 4.33, residual support = 56.3:
      O   HB2   GLU-  79 - HN    GLU-  79   2.71 +/- 0.32  99.980% * 98.3341% (0.09  10.0   4.33  56.33) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  14.41 +/- 2.41   0.012% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  14.17 +/- 0.81   0.007% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  22.02 +/- 1.55   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.58 +/- 0.88   0.001% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.27 +/- 2.19   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.44 +/- 1.71   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.17, residual support = 56.3:
      O   HB3   GLU-  79 - HN    GLU-  79   2.94 +/- 0.36  99.130% * 99.6469% (0.59  10.0   4.17  56.33) =  99.999%  kept
          HB2   GLN   90 - HN    GLU-  79  12.34 +/- 2.81   0.861% *  0.0789% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  16.60 +/- 0.95   0.004% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.08 +/- 0.94   0.004% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.06 +/- 0.62   0.001% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.69 +/- 0.73   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 39.7:
      O   HB3   ASP-  78 - HN    ASP-  78   2.50 +/- 0.56  99.611% * 99.4250% (0.49  10.0   3.95  39.67) =  99.999%  kept
          QB    CYS   50 - HN    ASP-  78   8.72 +/- 1.40   0.205% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  74 - HN    ASP-  78   9.35 +/- 1.21   0.181% *  0.2002% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  16.17 +/- 0.68   0.003% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.52 +/- 0.68   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 5.19, residual support = 37.9:
      O   HB2   ASP-  78 - HN    ASP-  78   2.70 +/- 0.31  80.483% * 82.7817% (0.98  10.0   5.20  39.67) =  95.249%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.86 +/- 0.77  19.500% * 17.0429% (0.84   1.0   4.83   3.20) =   4.751%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.62 +/- 1.29   0.013% *  0.0114% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.37 +/- 0.57   0.002% *  0.0347% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  19.98 +/- 1.32   0.001% *  0.0444% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.66 +/- 2.17   0.001% *  0.0235% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.39 +/- 0.73   0.000% *  0.0613% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.61, residual support = 28.1:
      O   HA    THR   77 - HN    ASP-  78   3.51 +/- 0.06  99.821% * 99.9219% (0.92  10.0   4.61  28.13) = 100.000%  kept
          HB2   TRP   27 - HN    ASP-  78  11.06 +/- 0.56   0.106% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASP-  78  12.58 +/- 1.66   0.069% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  18.70 +/- 0.70   0.005% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.42, residual support = 3.2:
          HA    ASP-  76 - HN    ASP-  78   3.60 +/- 0.28  99.999% * 99.6426% (0.95   2.42   3.20) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  23.98 +/- 1.00   0.001% *  0.3574% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.78 +/- 0.04  99.916% * 99.8846% (0.98  10.0   4.01  37.74) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  10.69 +/- 1.43   0.044% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  10.41 +/- 0.62   0.040% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.955, support = 3.54, residual support = 14.2:
          HB2   ASP-  76 - HN    THR   77   4.29 +/- 0.41  74.299% * 60.1810% (1.00   3.64  11.03) =  81.606%  kept
          HB2   ASP-  78 - HN    THR   77   5.24 +/- 0.34  25.651% * 39.2926% (0.76   3.10  28.13) =  18.394%  kept
          HB2   ASN   28 - HN    THR   77  15.83 +/- 0.63   0.032% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  18.96 +/- 1.31   0.012% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.30 +/- 0.85   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  22.15 +/- 1.03   0.004% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 11.0:
          HB3   ASP-  76 - HN    THR   77   4.24 +/- 0.35  87.957% * 95.2550% (0.57   3.64  11.03) =  99.941%  kept
          QG    GLN   90 - HN    THR   77   9.01 +/- 2.46   8.841% *  0.3155% (0.34   0.02   0.02) =   0.033%
          HG3   MET   92 - HN    THR   77   9.87 +/- 2.70   2.076% *  0.9250% (1.00   0.02   0.02) =   0.023%
          HB2   ASP-  44 - HN    THR   77   9.20 +/- 0.46   0.983% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR   77  16.55 +/- 0.68   0.028% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.44 +/- 0.55   0.066% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  18.70 +/- 1.41   0.014% *  0.7407% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.36 +/- 1.43   0.015% *  0.6354% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.45 +/- 1.12   0.008% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.66 +/- 0.95   0.010% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.36 +/- 1.41   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.7:
          QG2   THR   77 - HN    THR   77   2.02 +/- 0.21  99.861% * 96.0829% (0.61   4.01  37.74) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   6.80 +/- 0.93   0.116% *  0.3245% (0.41   0.02   0.58) =   0.000%
          QB    ALA   88 - HN    THR   77  11.25 +/- 1.20   0.005% *  0.7466% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.26 +/- 0.82   0.017% *  0.1757% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  18.53 +/- 2.07   0.000% *  0.5105% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  16.92 +/- 0.78   0.000% *  0.4468% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.57 +/- 1.00   0.000% *  0.2436% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.64 +/- 1.38   0.000% *  0.7078% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.31 +/- 1.10   0.000% *  0.7616% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.61, residual support = 3.83:
          QB    ALA   47 - HN    THR   77   5.65 +/- 1.31  96.231% * 98.6316% (0.90   2.61   3.83) =  99.978%  kept
          QG1   VAL   42 - HN    THR   77  11.58 +/- 0.65   2.603% *  0.6746% (0.80   0.02   0.02) =   0.018%
          QB    ALA   64 - HN    THR   77  13.20 +/- 0.66   1.000% *  0.3162% (0.38   0.02   0.02) =   0.003%
          HG2   LYS+ 112 - HN    THR   77  18.97 +/- 2.30   0.167% *  0.3777% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 13 structures by 1.52 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.4:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.00  99.948% * 99.8428% (0.97  10.0   5.27  84.42) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  11.09 +/- 0.98   0.040% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  14.22 +/- 1.28   0.009% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.52 +/- 1.09   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 0.749:
          HB2   ASP-  44 - HN    VAL   75   4.29 +/- 0.41  97.210% * 87.0932% (0.87   0.75   0.75) =  99.943%  kept
          HB3   PHE   72 - HN    VAL   75   8.71 +/- 0.61   1.675% *  2.0462% (0.76   0.02   0.02) =   0.040%
          QG    GLN   90 - HN    VAL   75  11.44 +/- 1.65   0.463% *  1.8392% (0.69   0.02   0.02) =   0.010%
          HG2   MET   92 - HN    VAL   75  11.97 +/- 1.99   0.459% *  0.4689% (0.18   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    VAL   75  14.71 +/- 0.99   0.071% *  2.5328% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  16.14 +/- 1.13   0.050% *  2.2364% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.15 +/- 1.82   0.062% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  24.81 +/- 1.55   0.003% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.30 +/- 0.84   0.008% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.10 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.212, support = 4.34, residual support = 31.2:
          HB3   LYS+  74 - HN    VAL   75   4.08 +/- 0.21  89.061% * 42.0670% (0.20   4.43  32.05) =  97.278%  kept
          HG    LEU   73 - HN    VAL   75   7.89 +/- 0.55   1.948% * 50.8942% (0.76   1.39   0.50) =   2.574%  kept
          HG    LEU   80 - HN    VAL   75   7.45 +/- 1.22   4.155% *  0.8327% (0.87   0.02   0.48) =   0.090%
          HB2   LEU   80 - HN    VAL   75   7.56 +/- 1.14   3.341% *  0.3274% (0.34   0.02   0.48) =   0.028%
          QB    ALA   61 - HN    VAL   75  10.22 +/- 1.16   0.516% *  0.9409% (0.98   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    VAL   75   9.79 +/- 0.39   0.503% *  0.7336% (0.76   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    VAL   75  12.45 +/- 2.40   0.237% *  0.8018% (0.84   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    VAL   75  14.61 +/- 0.85   0.047% *  0.9578% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  15.94 +/- 0.86   0.029% *  0.8861% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  14.62 +/- 1.27   0.052% *  0.2669% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   75  14.83 +/- 1.27   0.046% *  0.2669% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  14.79 +/- 1.20   0.047% *  0.1900% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  20.03 +/- 1.70   0.008% *  0.6210% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.45 +/- 2.82   0.011% *  0.2137% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.7, residual support = 32.0:
          HG2   LYS+  74 - HN    VAL   75   2.94 +/- 0.72  99.278% * 95.2341% (0.45   5.70  32.05) =  99.996%  kept
          QG2   ILE   56 - HN    VAL   75  10.18 +/- 1.63   0.202% *  0.6469% (0.87   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75  11.00 +/- 0.83   0.100% *  0.7197% (0.97   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.00 +/- 0.30   0.127% *  0.5123% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75   9.77 +/- 0.54   0.189% *  0.2544% (0.34   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  11.73 +/- 0.52   0.055% *  0.5123% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.98 +/- 0.75   0.016% *  0.7197% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  13.71 +/- 1.16   0.026% *  0.3066% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  18.88 +/- 0.85   0.003% *  0.3630% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  21.53 +/- 1.09   0.002% *  0.7310% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.941, support = 4.53, residual support = 83.9:
      O   HB    VAL   75 - HN    VAL   75   2.59 +/- 0.37  93.587% * 85.9781% (0.95  10.0   4.51  84.42) =  98.920%  kept
          HG3   LYS+  74 - HN    VAL   75   4.36 +/- 0.51   6.362% * 13.8087% (0.49   1.0   6.24  32.05) =   1.080%  kept
          QD1   LEU   67 - HN    VAL   75  11.77 +/- 1.48   0.019% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  11.50 +/- 0.85   0.014% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  12.91 +/- 0.96   0.008% *  0.0551% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.49 +/- 1.98   0.010% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.615, support = 0.796, residual support = 1.23:
          QG2   THR   46 - HN    VAL   75   4.42 +/- 0.76  66.675% * 19.4284% (0.69   0.35   1.87) =  56.531%  kept
          QD2   LEU   73 - HN    VAL   75   6.60 +/- 1.16  13.711% * 56.8574% (0.41   1.70   0.50) =  34.020%  kept
          QG1   VAL   43 - HN    VAL   75   6.17 +/- 0.65  11.087% * 18.6252% (0.97   0.24   0.02) =   9.011%  kept
          QG2   VAL   18 - HN    VAL   75   6.89 +/- 0.97   6.511% *  1.3034% (0.80   0.02   0.02) =   0.370%
          QG1   VAL   41 - HN    VAL   75  10.30 +/- 0.69   0.421% *  1.6242% (1.00   0.02   0.02) =   0.030%
          QD1   ILE   19 - HN    VAL   75   9.12 +/- 0.38   0.825% *  0.5553% (0.34   0.02   0.02) =   0.020%
          HG    LEU   31 - HN    VAL   75  11.14 +/- 0.78   0.261% *  0.9216% (0.57   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    VAL   75  10.76 +/- 1.67   0.477% *  0.3221% (0.20   0.02   0.02) =   0.007%
          QD2   LEU  104 - HN    VAL   75  15.50 +/- 1.12   0.033% *  0.3624% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.4:
          QG1   VAL   75 - HN    VAL   75   3.53 +/- 0.15  99.914% * 99.6867% (0.92   5.27  84.42) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.62 +/- 2.36   0.086% *  0.3133% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 5.11, residual support = 84.4:
          QG2   VAL   75 - HN    VAL   75   3.06 +/- 0.53  95.707% * 99.5279% (0.49   5.11  84.42) =  99.991%  kept
          QD1   ILE   89 - HN    VAL   75   6.75 +/- 1.14   4.083% *  0.1994% (0.25   0.02   0.02) =   0.009%
          QG2   VAL   42 - HN    VAL   75   9.20 +/- 0.70   0.209% *  0.2727% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.702, support = 4.35, residual support = 186.1:
      O   HB3   LYS+  74 - HN    LYS+  74   2.65 +/- 0.31  81.494% * 95.4898% (0.71  10.0   4.34 187.34) =  99.149%  kept
          HB3   LEU   73 - HN    LYS+  74   3.65 +/- 0.44  17.034% *  3.9159% (0.11   1.0   5.30  39.10) =   0.850%  kept
          HG12  ILE   19 - HN    LYS+  74   5.57 +/- 0.26   1.037% *  0.0580% (0.43   1.0   0.02   8.65) =   0.001%
          HB2   LEU   80 - HN    LYS+  74   9.66 +/- 0.93   0.080% *  0.0924% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   9.03 +/- 1.20   0.076% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.42 +/- 0.94   0.184% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  11.04 +/- 0.86   0.020% *  0.0830% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.87 +/- 1.10   0.043% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  11.90 +/- 0.91   0.011% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.11 +/- 2.44   0.004% *  0.0504% (0.37   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  12.38 +/- 0.88   0.009% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.55 +/- 1.53   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.45 +/- 1.44   0.002% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.19 +/- 3.35   0.001% *  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 = 5.63, residual support = 39.1:
          QD2   LEU   73 - HN    LYS+  74   3.89 +/- 0.26  99.397% * 97.1947% (0.20   5.63  39.10) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74   9.85 +/- 0.76   0.446% *  0.2175% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  12.59 +/- 1.59   0.133% *  0.6535% (0.37   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  18.06 +/- 2.74   0.017% *  0.7032% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.89 +/- 3.10   0.007% *  1.2311% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.22 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.46, residual support = 39.1:
          HB2   LEU   73 - HN    LYS+  74   3.24 +/- 0.34  99.909% * 97.8697% (0.64   5.46  39.10) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  13.42 +/- 1.02   0.028% *  0.2263% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.17 +/- 1.49   0.014% *  0.3962% (0.70   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  15.40 +/- 1.32   0.011% *  0.3055% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.01 +/- 0.96   0.008% *  0.3989% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  15.34 +/- 1.81   0.013% *  0.1364% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.19 +/- 0.79   0.008% *  0.1792% (0.32   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  18.05 +/- 1.71   0.005% *  0.0791% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.38 +/- 1.99   0.001% *  0.2586% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.78 +/- 2.99   0.002% *  0.1500% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.569, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HN    LYS+  74   9.86 +/- 1.05  37.201% * 15.4986% (0.71   0.02   0.02) =  55.185%  kept
          HB2   LEU   71 - HN    LYS+  74   9.59 +/- 0.61  41.911% *  5.8297% (0.27   0.02   0.02) =  23.385%  kept
          QB    LYS+  66 - HN    LYS+  74  14.22 +/- 0.52   3.891% * 14.9905% (0.68   0.02   0.02) =   5.583%  kept
          HG12  ILE  103 - HN    LYS+  74  15.01 +/- 1.79   3.192% * 14.6936% (0.67   0.02   0.02) =   4.489%  kept
          HG2   PRO   93 - HN    LYS+  74  15.58 +/- 1.73   3.866% * 11.8708% (0.54   0.02   0.02) =   4.392%  kept
          QB    LYS+  65 - HN    LYS+  74  12.89 +/- 0.69   7.060% *  6.3858% (0.29   0.02   0.02) =   4.315%  kept
          QB    LYS+ 102 - HN    LYS+  74  16.97 +/- 1.14   1.536% *  8.1723% (0.37   0.02   0.02) =   1.201%  kept
          HB3   PRO   52 - HN    LYS+  74  18.78 +/- 1.55   0.834% * 11.2793% (0.51   0.02   0.02) =   0.900%  kept
          HG    LEU  123 - HN    LYS+  74  20.91 +/- 2.90   0.509% * 11.2793% (0.51   0.02   0.02) =   0.550%  kept
    Distance limit 4.44 A violated in 20 structures by 3.76 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.775, support = 4.77, residual support = 36.9:
          HB3   PHE   72 - HN    LEU   73   3.87 +/- 0.43  77.976% * 68.7790% (0.76   5.11  40.49) =  89.358%  kept
          HB2   ASP-  44 - HN    LEU   73   5.17 +/- 0.81  21.433% * 29.7916% (0.87   1.95   7.19) =  10.639%  kept
          QG    GLU-  15 - HN    LEU   73   9.98 +/- 1.10   0.371% *  0.3334% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  12.93 +/- 1.19   0.088% *  0.2944% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.74 +/- 2.74   0.070% *  0.1202% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  15.45 +/- 1.29   0.026% *  0.2421% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.80 +/- 1.56   0.004% *  0.3160% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.76 +/- 1.42   0.016% *  0.0617% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  16.96 +/- 1.36   0.015% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.05, residual support = 168.6:
      O   HB2   LEU   73 - HN    LEU   73   3.56 +/- 0.33  99.606% * 99.3783% (0.99  10.0   6.05 168.62) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  12.72 +/- 1.29   0.072% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  12.36 +/- 1.03   0.074% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  15.32 +/- 1.63   0.027% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  12.58 +/- 1.05   0.066% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.95 +/- 1.00   0.017% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.18 +/- 1.00   0.079% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  15.16 +/- 1.50   0.027% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.66 +/- 3.67   0.010% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.68 +/- 2.08   0.004% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.32 +/- 0.69   0.018% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.417, support = 6.04, residual support = 160.1:
      O   HB3   LEU   73 - HN    LEU   73   3.16 +/- 0.49  75.922% * 64.0287% (0.41  10.0   6.18 168.62) =  94.772%  kept
          HB    VAL   42 - HN    LEU   73   4.35 +/- 0.73  18.008% * 13.1422% (0.49   1.0   3.47   1.12) =   4.614%  kept
          HB3   LYS+  74 - HN    LEU   73   6.42 +/- 0.39   1.428% * 21.8790% (0.87   1.0   3.24  39.10) =   0.609%  kept
          HG12  ILE   19 - HN    LEU   73   5.49 +/- 0.87   4.016% *  0.0433% (0.28   1.0   0.02   4.00) =   0.003%
          QB    LEU   98 - HN    LEU   73   7.99 +/- 1.04   0.405% *  0.1554% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  11.04 +/- 1.14   0.058% *  0.0882% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  12.17 +/- 1.07   0.033% *  0.1070% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.55 +/- 1.11   0.024% *  0.0758% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.89 +/- 1.42   0.038% *  0.0308% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.51 +/- 2.25   0.028% *  0.0347% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.42 +/- 1.38   0.007% *  0.1438% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.70 +/- 3.81   0.007% *  0.1301% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  12.84 +/- 0.96   0.019% *  0.0347% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  16.48 +/- 1.37   0.005% *  0.0585% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.17 +/- 2.68   0.003% *  0.0481% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.951, support = 7.64, residual support = 161.0:
          QD2   LEU   73 - HN    LEU   73   2.62 +/- 0.61  78.286% * 81.6960% (0.98   7.80 168.62) =  95.243%  kept
          QG1   VAL   43 - HN    LEU   73   4.14 +/- 1.11  18.028% * 17.7033% (0.38   4.42   9.17) =   4.753%  kept
          QG1   VAL   41 - HN    LEU   73   5.81 +/- 1.12   1.549% *  0.1209% (0.57   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    LEU   73   5.78 +/- 0.88   2.019% *  0.0423% (0.20   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   8.88 +/- 1.64   0.097% *  0.2131% (1.00   0.02   3.26) =   0.000%
          QD1   ILE   56 - HN    LEU   73  11.87 +/- 1.46   0.019% *  0.1710% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  17.35 +/- 3.61   0.003% *  0.0533% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.569, support = 5.69, residual support = 156.6:
          QD1   LEU   73 - HN    LEU   73   3.59 +/- 0.80  63.432% * 84.2409% (0.57   6.05 168.62) =  92.875%  kept
          QG2   VAL   41 - HN    LEU   73   4.64 +/- 1.11  28.387% * 14.3532% (0.61   0.96   0.02) =   7.082%  kept
          QD1   LEU   63 - HN    LEU   73   7.69 +/- 1.63   3.854% *  0.2783% (0.57   0.02   0.02) =   0.019%
          QD2   LEU   63 - HN    LEU   73   8.19 +/- 1.91   1.931% *  0.4915% (1.00   0.02   0.02) =   0.016%
          QD2   LEU   98 - HN    LEU   73   6.82 +/- 1.15   1.806% *  0.2021% (0.41   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    LEU   73  10.06 +/- 1.15   0.185% *  0.2021% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73   9.13 +/- 0.78   0.268% *  0.1094% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  12.90 +/- 2.69   0.137% *  0.1226% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.527, support = 1.22, residual support = 0.898:
          QG1   VAL   42 - HN    LEU   73   4.05 +/- 0.60  88.050% * 25.1141% (0.45   0.99   1.12) =  71.608%  kept
          QB    ALA   64 - HN    LEU   73   5.99 +/- 0.52  11.840% * 74.0437% (0.73   1.79   0.34) =  28.390%  kept
          QB    ALA   47 - HN    LEU   73  13.45 +/- 0.49   0.091% *  0.6432% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    LEU   73  19.11 +/- 3.12   0.019% *  0.1990% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.255, support = 1.91, residual support = 9.12:
          QG2   VAL   43 - HN    LEU   73   4.55 +/- 0.62  83.157% * 91.6973% (0.25   1.93   9.17) =  99.214%  kept
          QD2   LEU   31 - HN    LEU   73   6.61 +/- 1.36  14.470% *  3.8182% (1.00   0.02   3.26) =   0.719%  kept
          QG2   VAL   83 - HN    LEU   73   9.80 +/- 1.04   1.071% *  2.7726% (0.73   0.02   0.02) =   0.039%
          QD1   ILE   89 - HN    LEU   73   9.58 +/- 0.89   1.303% *  1.7118% (0.45   0.02   0.02) =   0.029%
    Distance limit 4.44 A violated in 2 structures by 0.21 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 5.01, residual support = 89.8:
      O   HB2   PHE   72 - HN    PHE   72   3.09 +/- 0.57  95.776% * 79.6739% (0.53  10.0   5.04  90.31) =  98.939%  kept
          HA    ALA   64 - HN    PHE   72   5.89 +/- 0.62   4.035% * 20.2728% (0.97   1.0   2.77  39.44) =   1.061%  kept
          HB3   ASN   69 - HN    PHE   72   9.74 +/- 0.61   0.178% *  0.0234% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  15.03 +/- 0.71   0.011% *  0.0300% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.29, residual support = 90.3:
      O   HB3   PHE   72 - HN    PHE   72   2.80 +/- 0.66  97.521% * 99.3598% (0.76  10.0   5.29  90.31) =  99.997%  kept
          QG    GLU-  15 - HN    PHE   72   6.39 +/- 1.04   2.016% *  0.1230% (0.95   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    PHE   72   8.34 +/- 0.75   0.354% *  0.1128% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   72  10.06 +/- 1.31   0.077% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.51 +/- 2.60   0.019% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.37 +/- 1.58   0.004% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  18.97 +/- 1.73   0.002% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.64 +/- 1.40   0.007% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.33 +/- 1.51   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.988, support = 3.91, residual support = 19.2:
          HG    LEU   71 - HN    PHE   72   4.89 +/- 0.68  30.639% * 93.9581% (0.99   3.97  19.56) =  98.244%  kept
          HG13  ILE   19 - HN    PHE   72   4.31 +/- 1.03  62.376% *  0.4514% (0.95   0.02   0.02) =   0.961%  kept
          QG2   THR   39 - HN    PHE   72   6.57 +/- 0.67   6.235% *  3.6844% (0.65   0.24   0.02) =   0.784%  kept
          HG2   LYS+  74 - HN    PHE   72   9.77 +/- 1.22   0.519% *  0.4761% (1.00   0.02   0.02) =   0.008%
          HG3   LYS+  99 - HN    PHE   72  13.23 +/- 1.41   0.099% *  0.4772% (1.00   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    PHE   72  13.79 +/- 1.37   0.064% *  0.1062% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.08 +/- 0.73   0.031% *  0.1791% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.61 +/- 1.27   0.013% *  0.3087% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.08 +/- 1.66   0.019% *  0.1962% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.32 +/- 2.25   0.004% *  0.1628% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.07 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.945, support = 5.16, residual support = 20.0:
          QD2   LEU   71 - HN    PHE   72   3.30 +/- 0.23  71.647% * 91.1475% (0.97   5.28  19.56) =  96.945%  kept
          QD1   LEU   67 - HN    PHE   72   5.26 +/- 2.12  26.645% *  7.7157% (0.31   1.40  34.85) =   3.052%  kept
          QD2   LEU   40 - HN    PHE   72   7.10 +/- 0.92   1.389% *  0.0995% (0.28   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    PHE   72  12.03 +/- 2.98   0.130% *  0.3452% (0.97   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   72   9.80 +/- 1.03   0.139% *  0.1882% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.16 +/- 0.91   0.024% *  0.3569% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.04 +/- 0.81   0.027% *  0.1471% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 6.13, residual support = 31.5:
          HB    VAL   70 - HN    LEU   71   4.21 +/- 0.16  97.568% * 98.9104% (0.98   6.13  31.46) =  99.994%  kept
          QG    GLN   17 - HN    LEU   71   9.29 +/- 1.22   1.254% *  0.3283% (1.00   0.02   0.02) =   0.004%
          HB2   MET   96 - HN    LEU   71  11.87 +/- 0.50   0.207% *  0.2128% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LEU   71  10.86 +/- 1.97   0.566% *  0.0733% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  10.94 +/- 1.31   0.380% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  19.17 +/- 0.94   0.012% *  0.3261% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  18.81 +/- 0.80   0.013% *  0.0576% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.35, residual support = 140.2:
      O   HB2   LEU   71 - HN    LEU   71   2.53 +/- 0.39  99.072% * 99.5111% (0.98  10.0   6.35 140.17) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.55 +/- 1.22   0.746% *  0.0455% (0.45   1.0   0.02   3.02) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.38 +/- 0.82   0.074% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.45 +/- 1.00   0.035% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.61 +/- 1.83   0.026% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  10.61 +/- 0.81   0.038% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  13.13 +/- 1.04   0.007% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.62 +/- 1.77   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 5.79, residual support = 136.0:
          HG    LEU   71 - HN    LEU   71   3.61 +/- 0.76  42.542% * 96.1833% (0.99   5.96 140.17) =  97.027%  kept
          QG2   THR   39 - HN    LEU   71   3.40 +/- 1.00  56.659% *  2.2086% (0.65   0.21   0.21) =   2.967%  kept
          HG13  ILE   19 - HN    LEU   71   7.66 +/- 1.06   0.643% *  0.3079% (0.95   0.02   0.02) =   0.005%
          HG3   LYS+  99 - HN    LEU   71   9.85 +/- 1.32   0.101% *  0.3255% (1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    LEU   71  13.41 +/- 1.14   0.017% *  0.3248% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  11.47 +/- 1.10   0.028% *  0.1222% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  16.01 +/- 1.35   0.006% *  0.0725% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  19.46 +/- 1.23   0.001% *  0.2106% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  18.82 +/- 1.20   0.002% *  0.1338% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.81 +/- 2.33   0.001% *  0.1110% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.886, support = 6.04, residual support = 102.3:
          QD1   LEU   71 - HN    LEU   71   3.34 +/- 0.86  67.472% * 46.5098% (0.84   6.10 140.17) =  65.139%  kept
          QG1   VAL   70 - HN    LEU   71   3.96 +/- 0.30  31.742% * 52.9049% (0.98   5.91  31.46) =  34.858%  kept
          QG1   VAL   18 - HN    LEU   71   8.30 +/- 1.05   0.514% *  0.1825% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   71  10.70 +/- 1.53   0.129% *  0.1254% (0.69   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   71  13.20 +/- 4.48   0.101% *  0.1525% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  12.76 +/- 0.88   0.036% *  0.0889% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.56 +/- 1.64   0.007% *  0.0361% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.34, residual support = 31.5:
          QG2   VAL   70 - HN    LEU   71   2.56 +/- 0.30 100.000% *100.0000% (0.73   6.34  31.46) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 82.1:
      O   HB    VAL   70 - HN    VAL   70   2.64 +/- 0.32  99.872% * 99.6297% (0.76  10.0   4.63  82.09) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   8.96 +/- 1.34   0.112% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  12.94 +/- 0.93   0.010% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.45 +/- 0.67   0.005% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.89 +/- 0.73   0.000% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  20.46 +/- 1.43   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.847, support = 0.625, residual support = 1.59:
          HB3   LEU   67 - HN    VAL   70   3.67 +/- 0.99  75.279% * 28.1809% (0.87   0.62   0.02) =  94.634%  kept
          HG    LEU   40 - HN    VAL   70   7.29 +/- 0.91   3.128% * 30.6740% (0.61   0.96  36.69) =   4.280%  kept
          HG    LEU   67 - HN    VAL   70   4.88 +/- 0.81  20.230% *  0.5130% (0.49   0.02   0.02) =   0.463%
          QG    LYS+  66 - HN    VAL   70   9.02 +/- 1.06   0.540% * 14.4990% (0.98   0.28   0.02) =   0.349%
          HG    LEU   73 - HN    VAL   70  10.68 +/- 0.89   0.262% * 22.2312% (0.99   0.43   0.02) =   0.260%
          HG12  ILE   19 - HN    VAL   70   9.66 +/- 1.17   0.376% *  0.4332% (0.41   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    VAL   70  11.50 +/- 0.85   0.103% *  0.7652% (0.73   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    VAL   70  16.96 +/- 2.57   0.058% *  0.9969% (0.95   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    VAL   70  17.80 +/- 1.73   0.010% *  0.6392% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.67 +/- 2.16   0.011% *  0.5130% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  21.31 +/- 1.25   0.003% *  0.5544% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 1 structures by 0.18 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 5.05, residual support = 79.2:
          QG1   VAL   70 - HN    VAL   70   2.51 +/- 0.50  92.982% * 54.5559% (0.92   5.12  82.09) =  94.320%  kept
          QD1   LEU   71 - HN    VAL   70   5.69 +/- 1.44   6.825% * 44.7485% (1.00   3.87  31.46) =   5.679%  kept
          QG1   VAL   18 - HN    VAL   70   9.52 +/- 0.87   0.066% *  0.1929% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  11.18 +/- 4.48   0.050% *  0.2310% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.36 +/- 1.43   0.032% *  0.1929% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   9.55 +/- 1.14   0.044% *  0.0788% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 82.1:
          QG2   VAL   70 - HN    VAL   70   3.73 +/- 0.12 100.000% *100.0000% (0.98   4.21  82.09) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.98, residual support = 61.2:
      O   HB2   ASN   69 - HD22  ASN   69   3.95 +/- 0.24  97.818% * 99.7633% (0.55  10.0   2.98  61.20) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69  10.95 +/- 2.89   1.982% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  13.57 +/- 2.95   0.194% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.01 +/- 1.32   0.002% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.43 +/- 1.87   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.89 +/- 1.13   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 3.23, residual support = 27.1:
          QG1   VAL   70 - HD22  ASN   69   4.20 +/- 1.30  78.261% * 92.1319% (0.56   3.28  27.57) =  98.257%  kept
          QD1   LEU   71 - HD22  ASN   69   7.43 +/- 2.32  20.788% *  6.1331% (0.53   0.23   0.02) =   1.737%  kept
          QD1   LEU  123 - HD22  ASN   69  12.12 +/- 5.41   0.573% *  0.5322% (0.53   0.02   0.02) =   0.004%
          HB3   LEU  104 - HD22  ASN   69  13.67 +/- 2.66   0.177% *  0.3639% (0.36   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69  12.26 +/- 2.37   0.135% *  0.2960% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  12.83 +/- 1.22   0.065% *  0.5429% (0.54   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.96, residual support = 2.96:
          HA    LEU   67 - HN    ASN   69   3.93 +/- 0.70 100.000% *100.0000% (0.92   2.96   2.96) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.4:
          HD2   PRO   68 - HN    ASN   69   2.81 +/- 0.49  99.970% * 99.1839% (0.80   5.97  31.44) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.58 +/- 1.10   0.027% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  19.45 +/- 1.00   0.002% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.53 +/- 0.50   0.001% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.4:
          HD3   PRO   68 - HN    ASN   69   3.68 +/- 0.51  99.978% * 98.4652% (0.99   5.97  31.44) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.65 +/- 1.13   0.014% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.75 +/- 0.95   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.95 +/- 1.58   0.002% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.19 +/- 1.55   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.96 +/- 2.22   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.614, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   9.15 +/- 1.36  29.189% * 39.8620% (0.87   0.02   0.02) =  53.290%  kept
          HA    ALA   64 - HN    ASN   69   7.54 +/- 1.00  70.323% * 14.1837% (0.31   0.02   0.02) =  45.682%  kept
          HB3   ASN   35 - HN    ASN   69  17.84 +/- 0.91   0.488% * 45.9543% (1.00   0.02   0.02) =   1.028%  kept
    Distance limit 3.81 A violated in 20 structures by 3.17 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   4.30 +/- 0.56  98.752% * 89.1827% (0.15   3.84  27.57) =  99.988%  kept
          QG    GLN   17 - HN    ASN   69   9.81 +/- 0.95   1.022% *  0.5953% (0.20   0.02   0.02) =   0.007%
          HB2   LYS+  38 - HN    ASN   69  13.80 +/- 1.29   0.130% *  2.9816% (0.99   0.02   0.02) =   0.004%
          QB    GLU-  36 - HN    ASN   69  15.05 +/- 1.01   0.068% *  0.5268% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  22.45 +/- 1.47   0.007% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  20.07 +/- 0.98   0.012% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  28.58 +/- 2.23   0.002% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.97 +/- 0.70   0.003% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.85 +/- 1.23   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 2 structures by 0.14 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.95, support = 6.04, residual support = 31.4:
      O   HB3   PRO   68 - HN    ASN   69   3.85 +/- 0.82  43.339% * 95.4467% (0.99  10.0   6.04  31.44) =  95.229%  kept
          HG2   PRO   68 - HN    ASN   69   3.70 +/- 0.94  52.622% *  3.9329% (0.14   1.0   6.04  31.44) =   4.764%  kept
          QB    GLU-  15 - HN    ASN   69   6.84 +/- 1.11   3.766% *  0.0699% (0.73   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    ASN   69  11.74 +/- 1.06   0.123% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  15.42 +/- 3.61   0.039% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.84 +/- 1.91   0.020% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.95 +/- 0.98   0.020% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  16.34 +/- 1.04   0.011% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  13.05 +/- 0.67   0.049% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.88 +/- 1.12   0.005% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.32 +/- 1.80   0.001% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.51 +/- 2.41   0.002% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  25.34 +/- 0.85   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.30 +/- 1.32   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 31.4:
          HG3   PRO   68 - HN    ASN   69   3.30 +/- 0.71  99.820% * 92.7613% (0.38   5.49  31.44) =  99.999%  kept
          HB3   LYS+  38 - HN    ASN   69  13.20 +/- 1.28   0.038% *  0.8512% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASN   69  13.47 +/- 1.42   0.045% *  0.5458% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.19 +/- 1.68   0.046% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.11 +/- 1.64   0.019% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  16.27 +/- 0.91   0.012% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  18.40 +/- 1.32   0.007% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.67 +/- 0.89   0.003% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.13 +/- 2.04   0.006% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.80 +/- 1.39   0.001% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.73 +/- 1.39   0.001% *  0.4034% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.64 +/- 0.77   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  28.04 +/- 2.07   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.4, residual support = 27.2:
          QG1   VAL   70 - HN    ASN   69   3.27 +/- 0.80  88.762% * 87.7202% (0.73   4.45  27.57) =  98.594%  kept
          QD1   LEU   71 - HN    ASN   69   6.99 +/- 1.68  10.384% * 10.6663% (0.49   0.81   0.02) =   1.403%  kept
          HB3   LEU   63 - HN    ASN   69  10.13 +/- 1.32   0.201% *  0.5240% (0.97   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ASN   69  10.87 +/- 4.77   0.359% *  0.2643% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  10.98 +/- 0.91   0.117% *  0.4535% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    ASN   69  14.05 +/- 1.73   0.165% *  0.1075% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  19.38 +/- 2.59   0.011% *  0.2643% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.992, support = 3.96, residual support = 18.8:
          HD2   PRO   68 - HN    LEU   67   4.52 +/- 0.52  79.054% * 96.3160% (1.00   3.97  18.77) =  99.404%  kept
          HA    VAL   24 - HE3   TRP   27   6.05 +/- 0.18  15.692% *  2.7592% (0.04   2.64  26.10) =   0.565%  kept
          HA    ALA   61 - HN    LEU   67   7.30 +/- 0.30   5.042% *  0.4697% (0.97   0.02   0.02) =   0.031%
          HD3   PRO   58 - HN    LEU   67  13.90 +/- 0.34   0.105% *  0.1502% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  15.50 +/- 0.91   0.059% *  0.0590% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  17.66 +/- 1.40   0.031% *  0.0610% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  22.28 +/- 1.02   0.007% *  0.1660% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  20.52 +/- 0.98   0.010% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 4.25, residual support = 18.8:
          HD3   PRO   68 - HN    LEU   67   4.01 +/- 0.67  99.584% * 97.3594% (0.76   4.25  18.77) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.51 +/- 0.50   0.260% *  0.2466% (0.41   0.02   0.02) =   0.001%
          HB3   CYS   53 - HN    LEU   67  18.18 +/- 1.59   0.019% *  0.5675% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  17.16 +/- 0.76   0.024% *  0.4121% (0.69   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.55 +/- 1.85   0.010% *  0.5880% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  19.89 +/- 1.60   0.012% *  0.4804% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  17.44 +/- 1.87   0.025% *  0.0713% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  18.06 +/- 0.78   0.017% *  0.0604% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.28 +/- 0.89   0.016% *  0.0576% (0.10   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.99 +/- 2.65   0.011% *  0.0739% (0.12   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.94 +/- 1.44   0.011% *  0.0518% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  18.94 +/- 0.87   0.011% *  0.0310% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.633, support = 1.39, residual support = 4.64:
          HA    ALA   64 - HN    LEU   67   3.21 +/- 0.21  96.646% * 20.7910% (0.65   0.98   3.96) =  88.571%  kept
          QE    LYS+  66 - HN    LEU   67   6.06 +/- 0.63   3.303% * 78.4948% (0.53   4.54   9.87) =  11.429%  kept
          HB3   ASN   35 - HE3   TRP   27  12.33 +/- 0.66   0.033% *  0.0689% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  14.14 +/- 0.87   0.015% *  0.0534% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  21.29 +/- 0.82   0.001% *  0.5484% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.23 +/- 1.42   0.002% *  0.0434% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 4.82, residual support = 58.5:
      O   HB2   LEU   67 - HN    LEU   67   2.48 +/- 0.46  98.266% * 99.1951% (0.61  10.0   4.82  58.47) =  99.999%  kept
          HG2   PRO   68 - HN    LEU   67   6.12 +/- 0.71   1.206% *  0.1058% (0.65   1.0   0.02  18.77) =   0.001%
          HB    VAL   18 - HN    LEU   67   8.61 +/- 1.21   0.087% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   6.74 +/- 0.68   0.343% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.78 +/- 1.62   0.013% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.20 +/- 0.83   0.014% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.71 +/- 0.49   0.004% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  15.80 +/- 1.37   0.003% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.88 +/- 0.22   0.042% *  0.0041% (0.02   1.0   0.02   0.38) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.52 +/- 0.98   0.013% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  15.14 +/- 1.11   0.003% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.00 +/- 1.57   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  20.60 +/- 1.60   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.51 +/- 1.17   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.21 +/- 1.33   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.65 +/- 1.12   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.45 +/- 0.89   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  22.14 +/- 2.26   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.939, support = 4.32, residual support = 9.5:
          QB    LYS+  66 - HN    LEU   67   3.29 +/- 0.29  84.559% * 78.6698% (0.95   4.44   9.87) =  96.261%  kept
          QB    LYS+  65 - HN    LEU   67   4.60 +/- 0.23  13.492% * 19.1391% (0.76   1.34   0.02) =   3.737%  kept
          HB2   LEU   71 - HN    LEU   67  10.19 +/- 1.14   0.183% *  0.2720% (0.73   0.02   0.02) =   0.001%
          HB    VAL   41 - HE3   TRP   27   7.33 +/- 0.93   1.027% *  0.0377% (0.10   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   67  11.65 +/- 4.43   0.174% *  0.1406% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   8.86 +/- 0.85   0.287% *  0.0834% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  13.69 +/- 1.00   0.018% *  0.2999% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   9.96 +/- 1.41   0.150% *  0.0342% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.08 +/- 1.88   0.054% *  0.0305% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.37 +/- 1.91   0.005% *  0.3249% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.35 +/- 1.81   0.004% *  0.3712% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.69 +/- 1.24   0.004% *  0.2423% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  14.05 +/- 1.36   0.017% *  0.0408% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.43 +/- 0.94   0.004% *  0.0445% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  17.15 +/- 0.78   0.005% *  0.0360% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  18.10 +/- 1.07   0.004% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  14.67 +/- 0.63   0.012% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  22.39 +/- 0.99   0.001% *  0.1406% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.92 +/- 1.77   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.89 +/- 2.92   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.539, support = 4.76, residual support = 55.5:
      O   HB3   LEU   67 - HN    LEU   67   3.26 +/- 0.48  44.501% * 38.6611% (0.25  10.0   4.19  58.47) =  56.341%  kept
          HG    LEU   67 - HN    LEU   67   3.77 +/- 0.77  26.404% * 43.4931% (1.00   1.0   5.62  58.47) =  37.607%  kept
          QG    LYS+  66 - HN    LEU   67   4.30 +/- 0.48  10.474% * 15.8941% (0.41   1.0   4.99   9.87) =   5.452%  kept
          HG    LEU   73 - HE3   TRP   27   4.73 +/- 1.84  18.156% *  1.0077% (0.08   1.0   1.70   8.66) =   0.599%  kept
          QB    ALA   61 - HN    LEU   67   7.57 +/- 0.31   0.265% *  0.0239% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   67  10.74 +/- 1.23   0.034% *  0.1537% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.83 +/- 2.69   0.040% *  0.1065% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67  10.47 +/- 1.29   0.050% *  0.0695% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.68 +/- 0.90   0.015% *  0.0940% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  14.01 +/- 1.32   0.007% *  0.1537% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  14.63 +/- 1.65   0.006% *  0.1065% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.46 +/- 1.01   0.016% *  0.0193% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  13.08 +/- 0.90   0.011% *  0.0087% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.62 +/- 2.28   0.001% *  0.1126% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  15.46 +/- 1.36   0.003% *  0.0194% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.15 +/- 1.91   0.004% *  0.0142% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  14.42 +/- 0.95   0.006% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  15.07 +/- 0.95   0.004% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  19.96 +/- 1.54   0.001% *  0.0193% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.59 +/- 2.73   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.29 +/- 1.65   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.37 +/- 1.23   0.001% *  0.0080% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.95, residual support = 58.4:
          QD1   LEU   67 - HN    LEU   67   3.51 +/- 0.47  91.445% * 92.8527% (0.31   3.96  58.47) =  99.897%  kept
          QD2   LEU   71 - HN    LEU   67   8.26 +/- 1.22   3.075% *  1.4667% (0.97   0.02   0.02) =   0.053%
          QG2   ILE  119 - HN    LEU   67   8.00 +/- 2.77   2.434% *  1.4667% (0.97   0.02   0.02) =   0.042%
          QD2   LEU   71 - HE3   TRP   27   8.94 +/- 1.71   1.671% *  0.1844% (0.12   0.02   0.02) =   0.004%
          QD2   LEU   40 - HN    LEU   67   9.19 +/- 1.08   0.396% *  0.4226% (0.28   0.02   0.02) =   0.002%
          QD1   ILE  103 - HE3   TRP   27  10.55 +/- 1.79   0.239% *  0.1906% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   67  13.85 +/- 1.45   0.043% *  0.7996% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27   9.90 +/- 0.62   0.231% *  0.1005% (0.07   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  15.92 +/- 1.18   0.014% *  1.5164% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.72 +/- 1.37   0.024% *  0.6248% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27   9.82 +/- 0.74   0.253% *  0.0531% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.37 +/- 1.81   0.095% *  0.0590% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.11 +/- 0.91   0.069% *  0.0785% (0.05   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.22 +/- 2.45   0.010% *  0.1844% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.05, residual support = 24.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.53 +/- 0.05  98.710% * 98.9277% (0.61  10.0   6.05  24.94) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  66   7.80 +/- 0.83   1.022% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  11.56 +/- 3.33   0.187% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  14.10 +/- 2.95   0.042% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.18 +/- 1.21   0.027% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.66 +/- 1.26   0.007% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.24 +/- 1.50   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.47 +/- 1.18   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  24.87 +/- 1.61   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.61, residual support = 6.11:
          HA    LEU   63 - HN    LYS+  66   3.35 +/- 0.24  99.997% * 98.5975% (0.99   1.61   6.11) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  21.86 +/- 0.98   0.002% *  0.8486% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.70 +/- 1.05   0.002% *  0.5539% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.895, support = 3.85, residual support = 14.3:
          HA    ALA   64 - HN    LYS+  66   4.00 +/- 0.24  80.438% * 75.2490% (0.95   3.75   6.86) =  92.978%  kept
          QE    LYS+  66 - HN    LYS+  66   5.20 +/- 0.36  18.693% * 24.4501% (0.22   5.18 113.34) =   7.021%  kept
          HB2   PHE   72 - HN    LYS+  66   8.62 +/- 0.69   0.867% *  0.0944% (0.22   0.02   0.21) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  23.31 +/- 0.89   0.002% *  0.2065% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.67, support = 5.01, residual support = 107.5:
      O   QB    LYS+  66 - HN    LYS+  66   2.22 +/- 0.13  86.372% * 68.5196% (0.65  10.0   4.95 113.34) =  93.342%  kept
          QB    LYS+  65 - HN    LYS+  66   3.04 +/- 0.13  13.599% * 31.0400% (0.99   1.0   5.91  24.94) =   6.657%  kept
          HB3   GLN   17 - HN    LYS+  66   9.36 +/- 1.08   0.021% *  0.0557% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.13 +/- 1.30   0.006% *  0.1038% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.37 +/- 1.93   0.001% *  0.0950% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.36 +/- 0.99   0.001% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.69 +/- 1.78   0.000% *  0.1057% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.84 +/- 1.24   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.276, support = 4.28, residual support = 95.6:
          QG    LYS+  66 - HN    LYS+  66   3.00 +/- 0.42  94.703% * 20.0704% (0.15   4.53 113.34) =  82.888%  kept
          HG    LEU   67 - HN    LYS+  66   5.55 +/- 0.79   5.095% * 76.9916% (0.87   3.09   9.87) =  17.108%  kept
          QB    ALA  120 - HN    LYS+  66  11.10 +/- 2.35   0.065% *  0.5548% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LYS+  66  12.41 +/- 1.25   0.034% *  0.4603% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  12.50 +/- 1.18   0.030% *  0.4393% (0.76   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  13.28 +/- 1.39   0.019% *  0.5548% (0.97   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  66  12.68 +/- 1.24   0.023% *  0.4393% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.99 +/- 0.94   0.012% *  0.1598% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.22 +/- 0.84   0.017% *  0.1138% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.17 +/- 2.10   0.001% *  0.2158% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.05 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.08, residual support = 6.86:
          QB    ALA   64 - HN    LYS+  66   4.34 +/- 0.20 100.000% *100.0000% (0.95   3.08   6.86) = 100.000%  kept
    Distance limit 4.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 163.6:
      O   HA    LYS+  65 - HN    LYS+  65   2.81 +/- 0.03  99.602% * 99.3218% (0.64  10.0   6.09 163.64) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   7.48 +/- 0.81   0.363% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  13.02 +/- 2.76   0.018% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.60 +/- 2.52   0.005% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.57 +/- 1.17   0.003% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.87 +/- 1.15   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.36 +/- 1.62   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.59 +/- 1.28   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.20 +/- 1.19   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  23.67 +/- 1.86   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.78 +/- 0.92   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  24.55 +/- 2.74   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.73, residual support = 27.9:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.03  96.520% * 99.9016% (0.65  10.0   4.73  27.93) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   7.10 +/- 0.62   1.991% *  0.0235% (0.15   1.0   0.02  24.94) =   0.000%
          HB2   PHE   72 - HN    LYS+  65   7.42 +/- 0.66   1.488% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  23.23 +/- 0.96   0.001% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.529, support = 6.6, residual support = 162.9:
      O   QB    LYS+  65 - HN    LYS+  65   2.23 +/- 0.14  98.137% * 76.4448% (0.53  10.0   6.61 163.64) =  99.471%  kept
          QB    LYS+  66 - HN    LYS+  65   4.42 +/- 0.15   1.731% * 23.0545% (0.65   1.0   4.87  24.94) =   0.529%  kept
          HB3   GLN   17 - HN    LYS+  65   7.65 +/- 1.14   0.115% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  11.97 +/- 1.23   0.006% *  0.0726% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  12.34 +/- 3.23   0.008% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.33 +/- 2.04   0.001% *  0.0991% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.18 +/- 0.94   0.001% *  0.0801% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.32 +/- 1.61   0.000% *  0.0868% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.05 +/- 1.21   0.000% *  0.0647% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.66 +/- 0.98   0.000% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.138, support = 5.39, residual support = 162.4:
          HG2   LYS+  65 - HN    LYS+  65   2.99 +/- 0.65  97.069% * 73.7130% (0.14   5.43 163.64) =  99.263%  kept
          HG    LEU   67 - HN    LYS+  65   6.48 +/- 1.00   2.650% * 19.9684% (0.36   0.55   0.02) =   0.734%  kept
          QB    ALA  120 - HN    LYS+  65  12.21 +/- 1.95   0.064% *  1.2987% (0.65   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  13.08 +/- 1.51   0.039% *  1.2987% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.20 +/- 0.85   0.071% *  0.6683% (0.34   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  13.23 +/- 1.18   0.018% *  1.3699% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.47 +/- 1.15   0.039% *  0.5644% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  13.23 +/- 1.12   0.025% *  0.5644% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.99 +/- 3.13   0.017% *  0.2118% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.40 +/- 0.76   0.008% *  0.3423% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.209, support = 4.95, residual support = 145.7:
          HG3   LYS+  65 - HN    LYS+  65   3.39 +/- 0.57  89.808% * 43.6273% (0.17   5.30 163.64) =  88.931%  kept
          HB2   LEU   63 - HN    LYS+  65   5.21 +/- 0.24   9.591% * 50.8265% (0.50   2.12   1.31) =  11.064%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.45 +/- 1.19   0.157% *  0.5514% (0.58   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  65  13.46 +/- 3.20   0.071% *  0.6245% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65   9.49 +/- 0.93   0.261% *  0.1646% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  14.39 +/- 1.43   0.024% *  0.6544% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.17 +/- 0.66   0.037% *  0.2038% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.05 +/- 1.06   0.007% *  0.6544% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.81 +/- 2.20   0.014% *  0.2714% (0.28   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  18.57 +/- 1.20   0.005% *  0.6587% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.36 +/- 1.55   0.007% *  0.3473% (0.36   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  19.73 +/- 1.79   0.004% *  0.2478% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  21.17 +/- 1.30   0.002% *  0.4004% (0.42   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.86 +/- 1.01   0.002% *  0.2960% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  18.13 +/- 1.41   0.005% *  0.1156% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.85 +/- 1.07   0.004% *  0.1307% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.06 +/- 1.72   0.001% *  0.2252% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.73, residual support = 27.9:
          QB    ALA   64 - HN    LYS+  65   2.70 +/- 0.18 100.000% *100.0000% (0.65   4.73  27.93) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 7.45:
          HA    ALA   61 - HN    ALA   64   3.44 +/- 0.21  99.237% * 95.1123% (0.95   0.75   7.45) =  99.984%  kept
          HD2   PRO   68 - HN    ALA   64   8.57 +/- 0.63   0.532% *  2.1470% (0.80   0.02   0.02) =   0.012%
          HD3   PRO   58 - HN    ALA   64   9.80 +/- 0.49   0.210% *  1.7345% (0.65   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    ALA   64  14.38 +/- 0.51   0.021% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.81 +/- 0.04  98.778% * 99.9016% (0.95  10.0   4.22  20.80) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   6.20 +/- 0.56   0.999% *  0.0235% (0.22   1.0   0.02  39.44) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.92 +/- 0.61   0.223% *  0.0235% (0.22   1.0   0.02   6.86) =   0.000%
          HB3   ASN   35 - HN    ALA   64  22.21 +/- 0.90   0.000% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 4.64, residual support = 25.7:
          QB    LYS+  65 - HN    ALA   64   4.45 +/- 0.20  61.807% * 82.3383% (0.92   4.88  27.93) =  89.591%  kept
          QB    LYS+  66 - HN    ALA   64   4.90 +/- 0.30  36.297% * 16.2744% (0.34   2.61   6.86) =  10.399%  kept
          HB3   GLN   17 - HN    ALA   64   8.69 +/- 0.61   1.222% *  0.3054% (0.84   0.02   2.45) =   0.007%
          HB2   LEU   71 - HN    ALA   64  11.31 +/- 1.38   0.430% *  0.3459% (0.95   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    ALA   64  14.20 +/- 1.86   0.104% *  0.2218% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.77 +/- 1.47   0.021% *  0.3054% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  13.68 +/- 0.92   0.080% *  0.0724% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.82 +/- 1.26   0.034% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.67 +/- 1.15   0.005% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.722, support = 7.21, residual support = 54.1:
          HB2   LEU   63 - HN    ALA   64   3.07 +/- 0.31  94.871% * 81.4189% (0.73   7.24  54.30) =  99.156%  kept
          HG3   LYS+  65 - HN    ALA   64   5.65 +/- 0.74   4.103% * 15.9787% (0.25   4.14  27.93) =   0.842%  kept
          HB3   ASP-  44 - HN    ALA   64   8.21 +/- 1.22   0.395% *  0.2587% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   7.71 +/- 0.97   0.479% *  0.0772% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.27 +/- 1.32   0.034% *  0.3070% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.53 +/- 3.08   0.030% *  0.2930% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.64 +/- 0.65   0.039% *  0.0956% (0.31   0.02   0.34) =   0.000%
          HG    LEU   98 - HN    ALA   64  15.10 +/- 1.07   0.007% *  0.3070% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.31 +/- 2.20   0.015% *  0.1274% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.07 +/- 1.35   0.008% *  0.1630% (0.53   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  16.83 +/- 1.02   0.004% *  0.3091% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  17.67 +/- 1.81   0.003% *  0.1163% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  19.33 +/- 1.14   0.002% *  0.1879% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  19.39 +/- 0.95   0.002% *  0.1389% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.90 +/- 1.27   0.004% *  0.0543% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  18.18 +/- 0.81   0.002% *  0.0613% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.36 +/- 1.54   0.001% *  0.1057% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.7, residual support = 54.3:
          HG    LEU   63 - HN    ALA   64   3.57 +/- 1.28  85.760% * 98.5743% (0.53   6.71  54.30) =  99.977%  kept
          QD1   ILE  119 - HN    ALA   64   6.60 +/- 1.86  12.464% *  0.1106% (0.20   0.02   0.02) =   0.016%
          QG2   VAL  108 - HN    ALA   64  12.90 +/- 2.28   1.642% *  0.3389% (0.61   0.02   0.02) =   0.007%
          HG3   LYS+ 112 - HN    ALA   64  14.87 +/- 2.19   0.060% *  0.5159% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  14.48 +/- 1.50   0.061% *  0.2505% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  18.65 +/- 0.91   0.013% *  0.2097% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.15 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.68, residual support = 54.3:
          HB3   LEU   63 - HN    ALA   64   3.76 +/- 0.47  87.770% * 99.3277% (0.97   6.68  54.30) =  99.981%  kept
          QG1   VAL   18 - HN    ALA   64   6.11 +/- 0.79   6.951% *  0.1620% (0.53   0.02   8.65) =   0.013%
          QG1   VAL   70 - HN    ALA   64   7.97 +/- 1.29   2.079% *  0.1266% (0.41   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    ALA   64   8.72 +/- 2.88   2.613% *  0.0686% (0.22   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    ALA   64  14.21 +/- 2.60   0.177% *  0.2466% (0.80   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.57 +/- 1.37   0.410% *  0.0686% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.13, residual support = 54.3:
          QD2   LEU   63 - HN    ALA   64   3.97 +/- 0.69  57.238% * 60.3569% (1.00   5.86  54.30) =  68.416%  kept
          QD1   LEU   63 - HN    ALA   64   4.19 +/- 0.46  40.749% * 39.1349% (0.57   6.71  54.30) =  31.581%  kept
          QD2   LEU  115 - HN    ALA   64   8.80 +/- 1.60   1.457% *  0.0514% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.65 +/- 1.11   0.237% *  0.1166% (0.57   0.02   0.34) =   0.001%
          QG2   VAL   41 - HN    ALA   64  11.07 +/- 0.89   0.188% *  0.1250% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.42 +/- 1.05   0.091% *  0.0847% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.74 +/- 1.28   0.017% *  0.0847% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.39 +/- 0.76   0.021% *  0.0459% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.04 +/- 0.08 100.000% *100.0000% (0.95  10.0   4.22  20.80) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
      O   HA    ASP-  62 - HN    LEU   63   3.61 +/- 0.03  99.910% * 99.8321% (0.97  10.0   5.25  42.54) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.27 +/- 1.61   0.087% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.81 +/- 0.86   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.67 +/- 0.94   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 11.6:
          HA    PHE   60 - HN    LEU   63   3.42 +/- 0.24  99.579% * 92.4872% (0.69   1.50  11.65) =  99.995%  kept
          QB    SER  117 - HN    LEU   63  11.64 +/- 1.13   0.086% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LEU   63  10.51 +/- 2.46   0.243% *  0.6124% (0.34   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  13.18 +/- 2.31   0.057% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.21 +/- 1.17   0.024% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.49 +/- 1.07   0.007% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.23 +/- 1.17   0.005% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.6:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.04  99.999% * 99.8508% (0.76  10.0   7.54 242.55) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.97 +/- 0.75   0.000% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  20.30 +/- 1.05   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.25, residual support = 42.5:
          HB2   ASP-  62 - HN    LEU   63   3.09 +/- 0.56  99.958% * 99.7496% (0.98   5.25  42.54) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  13.43 +/- 0.97   0.032% *  0.0767% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  16.32 +/- 1.50   0.010% *  0.1737% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   3.10 +/- 0.48  99.988% * 98.9539% (0.95   5.25  42.54) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  15.43 +/- 0.99   0.010% *  0.3677% (0.92   0.02   0.79) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  22.99 +/- 1.00   0.001% *  0.2255% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  25.26 +/- 1.96   0.001% *  0.2892% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  25.15 +/- 1.16   0.001% *  0.1637% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.98, residual support = 242.6:
      O   HB2   LEU   63 - HN    LEU   63   2.10 +/- 0.09  99.809% * 98.8228% (0.73  10.0   7.98 242.55) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.59 +/- 0.76   0.132% *  0.0339% (0.25   1.0   0.02   1.31) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.89 +/- 1.21   0.027% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.41 +/- 1.35   0.005% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.43 +/- 0.88   0.015% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.93 +/- 2.43   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.03 +/- 2.05   0.004% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.31 +/- 1.08   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.05 +/- 1.50   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.66 +/- 0.90   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  15.94 +/- 1.74   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.41 +/- 0.97   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.63 +/- 1.15   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.21 +/- 1.49   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  21.41 +/- 0.88   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.39 +/- 1.35   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.63 +/- 0.78   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.58, residual support = 242.5:
          HG    LEU   63 - HN    LEU   63   3.17 +/- 0.31  99.480% * 99.5048% (1.00   7.58 242.55) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.38 +/- 0.90   0.465% *  0.0461% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.65 +/- 2.11   0.053% *  0.1911% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  20.04 +/- 0.84   0.002% *  0.2580% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.10 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.6, residual support = 242.5:
      O   HB3   LEU   63 - HN    LEU   63   3.37 +/- 0.09  92.981% * 99.7743% (0.97  10.0   7.60 242.55) =  99.996%  kept
          QG1   VAL  108 - HN    LEU   63  13.45 +/- 2.98   3.536% *  0.0828% (0.80   1.0   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    LEU   63   7.60 +/- 2.48   2.270% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LEU   63   7.76 +/- 0.71   0.831% *  0.0544% (0.53   1.0   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU   63   9.36 +/- 1.18   0.316% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.55 +/- 1.62   0.066% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 6.93, residual support = 242.5:
          QD1   LEU   63 - HN    LEU   63   3.71 +/- 0.26  54.620% * 47.4634% (0.90   6.40 242.55) =  53.587%  kept
          QD2   LEU   63 - HN    LEU   63   3.82 +/- 0.64  43.127% * 52.0597% (0.84   7.54 242.55) =  46.409%  kept
          QD2   LEU  115 - HN    LEU   63   7.08 +/- 1.33   2.076% *  0.0936% (0.57   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU   63  12.36 +/- 1.36   0.075% *  0.1483% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  13.47 +/- 1.62   0.031% *  0.0510% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.69 +/- 0.81   0.034% *  0.0460% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.60 +/- 1.16   0.025% *  0.0255% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.71 +/- 0.74   0.006% *  0.0870% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  16.96 +/- 1.20   0.006% *  0.0255% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.76 +/- 0.43  99.987% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.48 +/- 1.21   0.005% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.10 +/- 0.78   0.008% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.07 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.36 +/- 0.35  99.999% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  17.12 +/- 0.86   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  23.82 +/- 1.40   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.75 +/- 2.09   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  26.01 +/- 1.43   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.376, support = 0.0197, residual support = 0.0197:
          QB    LYS+  66 - HN    ASP-  62   6.23 +/- 0.44  89.104% *  5.0993% (0.32   0.02   0.02) =  82.980%  kept
          HG    LEU  123 - HN    ASP-  62  11.58 +/- 2.07   3.826% * 12.8527% (0.82   0.02   0.02) =   8.981%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.39 +/- 1.15   1.840% *  7.6923% (0.49   0.02   0.02) =   2.584%  kept
          HG3   PRO   68 - HN    ASP-  62  13.34 +/- 0.93   1.173% *  8.7895% (0.56   0.02   0.02) =   1.884%  kept
          HB3   PRO   52 - HN    ASP-  62  15.88 +/- 0.79   0.348% * 12.8527% (0.82   0.02   0.02) =   0.818%  kept
          HG2   PRO   93 - HN    ASP-  62  13.10 +/- 1.94   1.728% *  2.3795% (0.15   0.02   0.02) =   0.751%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.99 +/- 1.13   0.500% *  7.1484% (0.45   0.02   0.02) =   0.653%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.19 +/- 1.36   0.801% *  3.3879% (0.21   0.02   0.02) =   0.495%
          HB    VAL   41 - HN    ASP-  62  17.30 +/- 0.88   0.221% *  7.6923% (0.49   0.02   0.02) =   0.310%
          HG12  ILE  103 - HN    ASP-  62  19.77 +/- 1.33   0.105% *  9.8662% (0.63   0.02   0.02) =   0.188%
          HB3   GLN   90 - HN    ASP-  62  21.28 +/- 2.63   0.137% *  4.6346% (0.29   0.02   0.02) =   0.116%
          HB    ILE  103 - HN    ASP-  62  20.93 +/- 1.01   0.069% *  8.2409% (0.52   0.02   0.02) =   0.105%
          QB    LYS+  33 - HN    ASP-  62  19.69 +/- 1.09   0.102% *  5.5858% (0.35   0.02   0.02) =   0.104%
          QB    LYS+  81 - HN    ASP-  62  22.37 +/- 1.00   0.046% *  3.7777% (0.24   0.02   0.02) =   0.032%
    Distance limit 4.25 A violated in 20 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.31:
          QB    ALA   61 - HN    ASP-  62   2.86 +/- 0.15  98.090% * 94.7960% (0.80   2.79   8.31) =  99.989%  kept
          QG    LYS+  66 - HN    ASP-  62   6.27 +/- 0.94   1.338% *  0.4468% (0.52   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ASP-  62  11.38 +/- 2.62   0.465% *  0.7366% (0.86   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ASP-  62   9.98 +/- 0.68   0.062% *  0.5898% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.21 +/- 1.30   0.008% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.71 +/- 0.90   0.015% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.02 +/- 2.24   0.011% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.91 +/- 1.53   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.66 +/- 1.23   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.41 +/- 0.76   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.75 +/- 1.38   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.35 +/- 1.64   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 1.73, residual support = 3.92:
          QB    LYS+  66 - HN    LEU   63   4.67 +/- 0.33  53.297% * 48.4718% (0.95   1.57   6.11) =  54.489%  kept
          QB    LYS+  65 - HN    LEU   63   4.82 +/- 0.30  44.700% * 48.2578% (0.76   1.93   1.31) =  45.499%  kept
          HG    LEU  123 - HN    LEU   63  10.23 +/- 2.83   1.239% *  0.2452% (0.38   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU   63  13.12 +/- 1.82   0.153% *  0.6476% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  13.62 +/- 1.65   0.175% *  0.4744% (0.73   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   63  10.96 +/- 0.78   0.340% *  0.1455% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  15.59 +/- 0.85   0.039% *  0.5232% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.61 +/- 1.29   0.015% *  0.5667% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.79 +/- 1.18   0.018% *  0.4226% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.73 +/- 0.87   0.025% *  0.2452% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.98, residual support = 42.0:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.02  99.795% * 99.3945% (0.69  10.0   4.98  41.96) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.50 +/- 0.90   0.041% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.21 +/- 1.19   0.051% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.12 +/- 1.10   0.032% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.56 +/- 1.45   0.046% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.33 +/- 1.27   0.021% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.29 +/- 1.51   0.015% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.77, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.80 +/- 0.04  98.389% * 99.8077% (0.95  10.0   2.77  18.01) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.65 +/- 0.35   1.594% *  0.0683% (0.65   1.0   0.02   1.00) =   0.001%
          HD2   PRO   68 - HN    ALA   61  13.11 +/- 0.75   0.010% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  14.04 +/- 0.94   0.007% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 42.0:
          HB2   PHE   60 - HN    ALA   61   2.88 +/- 0.41  99.852% * 99.4693% (0.84   4.91  41.96) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.54 +/- 1.28   0.141% *  0.0959% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  18.32 +/- 2.20   0.006% *  0.4348% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.98, residual support = 42.0:
          HB3   PHE   60 - HN    ALA   61   3.37 +/- 0.75  99.939% * 99.1888% (0.98   4.98  41.96) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.56 +/- 1.60   0.022% *  0.3527% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  15.02 +/- 1.59   0.027% *  0.1672% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  17.38 +/- 0.91   0.010% *  0.1526% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.88 +/- 1.37   0.001% *  0.1387% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.05 +/- 0.08  99.911% * 99.0576% (0.73  10.0   4.02  18.01) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.35 +/- 0.85   0.028% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  10.66 +/- 2.91   0.030% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.15 +/- 0.77   0.015% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.88 +/- 0.73   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  10.91 +/- 0.88   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.86 +/- 1.78   0.003% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.29 +/- 1.39   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  15.77 +/- 1.52   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.57 +/- 1.30   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.30 +/- 1.81   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.1, residual support = 40.2:
          HD3   PRO   58 - HN    PHE   59   2.37 +/- 0.31  99.787% * 99.4992% (0.76   6.10  40.18) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.05 +/- 0.23   0.210% *  0.1136% (0.26   0.02   0.38) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.66 +/- 1.09   0.001% *  0.3214% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  15.53 +/- 0.88   0.002% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 58.5:
      O   HB2   PHE   59 - HN    PHE   59   2.66 +/- 0.47  99.342% * 99.5977% (0.76  10.0   4.37  58.51) =  99.999%  kept
          QB    PHE   55 - HN    PHE   59   7.20 +/- 0.59   0.421% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.31 +/- 1.35   0.116% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.44 +/- 1.36   0.075% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.42 +/- 1.72   0.039% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.84 +/- 0.90   0.006% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.5:
      O   HB3   PHE   59 - HN    PHE   59   2.51 +/- 0.61  99.969% * 99.9594% (0.67  10.0   4.98  58.51) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59  10.37 +/- 1.40   0.029% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.48 +/- 1.11   0.002% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.08 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.58, residual support = 40.2:
      O   HB2   PRO   58 - HN    PHE   59   3.77 +/- 0.54  98.994% * 98.5251% (0.19  10.0   6.58  40.18) =  99.997%  kept
          HB2   GLN  116 - HN    PHE   59   9.37 +/- 1.19   0.969% *  0.3300% (0.64   1.0   0.02   0.59) =   0.003%
          HB3   PHE   97 - HN    PHE   59  15.85 +/- 1.75   0.029% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  20.77 +/- 1.10   0.005% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.73 +/- 1.07   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  26.03 +/- 1.07   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.2:
          HG2   PRO   58 - HN    PHE   59   2.90 +/- 0.27  99.649% * 98.7278% (0.76   6.30  40.18) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.22 +/- 1.35   0.183% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.44 +/- 1.02   0.131% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.58 +/- 0.92   0.014% *  0.3135% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.35 +/- 2.14   0.020% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  21.92 +/- 1.44   0.001% *  0.3191% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  18.02 +/- 0.71   0.002% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.42 +/- 1.75   0.000% *  0.3198% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.688, support = 6.26, residual support = 40.0:
      O   HB3   PRO   58 - HN    PHE   59   3.80 +/- 0.44  74.081% * 97.6194% (0.69  10.0   6.30  40.18) =  99.279%  kept
          HB    ILE   56 - HN    PHE   59   4.93 +/- 1.01  25.793% *  2.0356% (0.19   1.0   1.50  20.73) =   0.721%  kept
          HB2   MET   92 - HN    PHE   59  13.47 +/- 1.57   0.093% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  15.67 +/- 1.40   0.027% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.31 +/- 0.97   0.003% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  22.11 +/- 1.91   0.002% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  26.83 +/- 1.19   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  30.55 +/- 1.68   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.14 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.7:
          QG1   ILE   56 - HN    PHE   59   3.37 +/- 0.87  99.601% * 97.7319% (0.67   4.26  20.73) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.16 +/- 1.51   0.146% *  0.2369% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.65 +/- 1.93   0.054% *  0.3205% (0.47   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.28 +/- 1.97   0.092% *  0.1803% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  15.28 +/- 1.15   0.029% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.64 +/- 0.76   0.047% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  17.97 +/- 2.07   0.021% *  0.1803% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  19.57 +/- 1.38   0.006% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.84 +/- 1.32   0.004% *  0.4039% (0.59   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.349, support = 0.02, residual support = 1.93:
          HA    ALA   61 - HN    ALA   57   8.36 +/- 0.71  98.467% * 14.7090% (0.34   0.02   1.99) =  97.262%  kept
          HD2   PRO   68 - HN    ALA   57  18.08 +/- 1.38   1.118% * 22.6869% (0.53   0.02   0.02) =   1.704%  kept
          HA    VAL   24 - HN    ALA   57  22.03 +/- 1.14   0.325% * 41.6148% (0.97   0.02   0.02) =   0.908%  kept
          HA    LYS+  38 - HN    ALA   57  27.26 +/- 1.51   0.090% * 20.9893% (0.49   0.02   0.02) =   0.127%
    Distance limit 3.48 A violated in 20 structures by 4.86 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.343, support = 0.205, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   6.49 +/- 1.45  61.056% * 82.4507% (0.34   0.22   0.02) =  94.161%  kept
          HD2   ARG+  54 - HN    ALA   57   7.45 +/- 1.42  29.307% *  9.2008% (0.41   0.02   0.02) =   5.044%  kept
          HD3   PRO   93 - HN    ALA   57   9.37 +/- 1.85   9.359% *  4.4290% (0.20   0.02   0.02) =   0.775%  kept
          HD3   PRO   68 - HN    ALA   57  17.50 +/- 1.16   0.278% *  3.9195% (0.18   0.02   0.02) =   0.020%
    Distance limit 4.43 A violated in 14 structures by 1.42 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 = 0.514, support = 4.88, residual support = 29.8:
          HB    ILE   56 - HN    ALA   57   4.11 +/- 0.70  79.985% * 25.6659% (0.25   5.34  33.44) =  59.062%  kept
          HB3   PRO   58 - HN    ALA   57   5.49 +/- 0.34  19.460% * 73.1117% (0.90   4.23  24.61) =  40.933%  kept
          HB2   MET   92 - HN    ALA   57  11.29 +/- 1.82   0.507% *  0.2801% (0.73   0.02   0.02) =   0.004%
          HB3   MET   96 - HN    ALA   57  15.77 +/- 1.54   0.038% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  21.32 +/- 1.40   0.005% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  23.12 +/- 2.40   0.003% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.46 +/- 1.50   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  31.89 +/- 2.00   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.11 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.46 +/- 0.47  99.912% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.79 +/- 1.40   0.043% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.15 +/- 2.45   0.015% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.49 +/- 1.08   0.022% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.82 +/- 1.61   0.004% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.17 +/- 1.22   0.002% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.96 +/- 2.14   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.17 +/- 1.51   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.76 +/- 1.65   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.4:
          QG2   ILE   56 - HN    ALA   57   3.29 +/- 0.68  99.784% * 97.4851% (0.87   5.34  33.44) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  11.66 +/- 1.52   0.121% *  0.4064% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ALA   57  11.79 +/- 0.99   0.071% *  0.1888% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  17.32 +/- 1.45   0.007% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  19.16 +/- 1.37   0.004% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.53 +/- 1.18   0.003% *  0.2893% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  20.31 +/- 2.08   0.005% *  0.1731% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  19.28 +/- 1.36   0.003% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.37 +/- 1.61   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.27 +/- 1.47   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.2:
      O   HB2   ASN   69 - HD21  ASN   69   3.17 +/- 0.48  99.242% * 99.6854% (0.36  10.0   3.63  61.20) =  99.999%  kept
          QE    LYS+  66 - HD21  ASN   69  10.81 +/- 2.46   0.749% *  0.1287% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   ASN   35 - HD21  ASN   69  16.95 +/- 2.28   0.008% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.65 +/- 1.17   0.001% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.54 +/- 0.92   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.317, support = 4.11, residual support = 27.4:
          QG1   VAL   70 - HD21  ASN   69   4.10 +/- 1.22  80.713% * 94.6223% (0.32   4.14  27.57) =  99.229%  kept
          QD1   LEU   71 - HD21  ASN   69   7.05 +/- 1.90  18.324% *  3.2179% (0.19   0.23   0.02) =   0.766%  kept
          QD1   LEU  123 - HD21  ASN   69  12.19 +/- 5.03   0.636% *  0.2754% (0.19   0.02   0.02) =   0.002%
          HB3   LEU   63 - HD21  ASN   69  12.17 +/- 1.74   0.198% *  0.8074% (0.56   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD21  ASN   69  12.37 +/- 1.06   0.124% *  0.5546% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  20.57 +/- 2.42   0.006% *  0.5223% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.4, support = 0.0199, residual support = 0.0199:
          HA    LEU  123 - HD21  ASN   69  13.86 +/- 7.23  26.911% * 14.3693% (0.39   0.02   0.02) =  39.055%  kept
          HA    LYS+  99 - HD21  ASN   69  11.32 +/- 1.86  18.438% * 19.7883% (0.53   0.02   0.02) =  36.849%  kept
          HA    LEU   40 - HD21  ASN   69   9.56 +/- 1.55  47.964% *  2.8311% (0.08   0.02   0.02) =  13.714%  kept
          HA    ASN   35 - HD21  ASN   69  14.69 +/- 2.29   4.543% * 17.4728% (0.47   0.02   0.02) =   8.017%  kept
          HA    PHE   59 - HD21  ASN   69  17.42 +/- 1.62   1.623% *  8.6000% (0.23   0.02   0.02) =   1.410%  kept
          HA    ILE   56 - HD21  ASN   69  22.32 +/- 1.01   0.308% * 16.7505% (0.45   0.02   0.02) =   0.522%  kept
          HA    ASP- 113 - HD21  ASN   69  23.74 +/- 2.43   0.213% * 20.1881% (0.54   0.02   0.02) =   0.433%
    Distance limit 4.76 A violated in 20 structures by 3.36 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.961, support = 4.24, residual support = 18.7:
          QB    PHE   55 - HN    ILE   56   2.98 +/- 0.31  92.179% * 66.3830% (0.97   4.27  18.88) =  98.919%  kept
          HD2   ARG+  54 - HN    ILE   56   6.70 +/- 0.73   1.602% * 26.1346% (0.92   1.76   0.02) =   0.677%  kept
          HB3   CYS   53 - HN    ILE   56   5.34 +/- 0.58   3.736% *  6.5170% (0.97   0.42   0.02) =   0.394%
          HB2   PHE   59 - HN    ILE   56   6.32 +/- 0.93   1.766% *  0.2462% (0.76   0.02  20.73) =   0.007%
          HD3   PRO   93 - HN    ILE   56   7.66 +/- 1.73   0.650% *  0.3215% (1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HZ2   TRP   87  17.19 +/- 2.88   0.044% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ILE   56  19.59 +/- 0.97   0.001% *  0.3193% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.37 +/- 1.94   0.012% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.33 +/- 4.13   0.005% *  0.0129% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.50 +/- 2.21   0.003% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.95 +/- 1.64   0.001% *  0.0107% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.93 +/- 2.74   0.001% *  0.0139% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.05, residual support = 123.6:
      O   HB    ILE   56 - HN    ILE   56   3.15 +/- 0.48  92.876% * 99.2786% (0.87  10.0   6.05 123.58) =  99.998%  kept
          HG2   ARG+  54 - HN    ILE   56   5.65 +/- 0.66   5.334% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.60 +/- 0.68   0.691% *  0.0916% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ILE   56   9.42 +/- 1.72   0.375% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  10.04 +/- 3.83   0.315% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  14.07 +/- 1.29   0.014% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  16.07 +/- 1.62   0.007% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  11.40 +/- 2.82   0.118% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.20 +/- 0.38   0.062% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  18.97 +/- 1.37   0.003% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.34 +/- 1.29   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.65 +/- 1.27   0.004% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  12.21 +/- 4.70   0.114% *  0.0008% (0.01   1.0   0.02   0.11) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  13.69 +/- 3.53   0.029% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  16.19 +/- 1.65   0.007% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.03 +/- 1.75   0.018% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.13 +/- 1.34   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  15.69 +/- 3.59   0.019% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  19.17 +/- 4.64   0.004% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.84 +/- 1.15   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.83 +/- 1.22   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.51 +/- 1.66   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.96 +/- 2.30   0.002% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  21.65 +/- 3.55   0.003% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.77 +/- 1.96   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.22 +/- 1.97   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  23.01 +/- 3.05   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  31.52 +/- 2.92   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.16 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 123.6:
          QG1   ILE   56 - HN    ILE   56   4.01 +/- 0.47  90.912% * 98.0272% (0.87   5.17 123.58) =  99.986%  kept
          HB3   MET   92 - HN    ILE   56   8.27 +/- 1.60   5.594% *  0.1959% (0.45   0.02   0.02) =   0.012%
          HD2   LYS+ 111 - HN    ILE   56  12.05 +/- 2.65   0.360% *  0.1490% (0.34   0.02   2.17) =   0.001%
          QD    LYS+ 106 - HN    ILE   56  15.70 +/- 1.52   0.036% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  11.95 +/- 3.56   0.739% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   9.79 +/- 2.84   0.877% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.79 +/- 0.97   1.141% *  0.0065% (0.01   0.02  18.54) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.69 +/- 1.79   0.027% *  0.2650% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.73 +/- 1.67   0.040% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  17.42 +/- 1.88   0.024% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  15.43 +/- 4.45   0.104% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  22.32 +/- 1.16   0.004% *  0.3649% (0.84   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  15.88 +/- 3.94   0.072% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.52 +/- 1.04   0.003% *  0.3339% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  17.11 +/- 1.57   0.023% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  16.00 +/- 1.27   0.038% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.30 +/- 2.30   0.004% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  25.57 +/- 3.73   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.25 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.396, support = 0.723, residual support = 2.83:
          QB    ALA  110 - HN    ILE   56   6.27 +/- 3.72  60.539% * 17.4719% (0.20   0.86   4.43) =  62.137%  kept
          HB3   LEU  115 - HN    ILE   56   7.55 +/- 1.08   8.062% * 51.1289% (0.92   0.54   0.21) =  24.216%  kept
          HG    LEU  115 - HN    ILE   56   7.72 +/- 1.40  12.544% * 17.9310% (0.38   0.46   0.21) =  13.213%  kept
          QB    ALA   61 - HN    ILE   56   8.08 +/- 0.75   6.944% *  0.7739% (0.38   0.02   0.02) =   0.316%
          QB    ALA  120 - HN    ILE   56  13.07 +/- 1.44   0.996% *  0.7739% (0.38   0.02   0.02) =   0.045%
          QG    LYS+  66 - HN    ILE   56  14.03 +/- 1.18   0.253% *  1.4972% (0.73   0.02   0.02) =   0.022%
          HG    LEU   73 - HZ2   TRP   87  10.42 +/- 3.07   2.974% *  0.0803% (0.04   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    ILE   56  18.74 +/- 1.83   0.106% *  1.8492% (0.90   0.02   0.02) =   0.012%
          HG    LEU   80 - HZ2   TRP   87   9.11 +/- 1.87   5.653% *  0.0199% (0.01   0.02   0.02) =   0.007%
          HG    LEU   67 - HN    ILE   56  17.99 +/- 1.31   0.056% *  1.7222% (0.84   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    ILE   56  18.10 +/- 0.96   0.053% *  1.0848% (0.53   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE   56  21.00 +/- 1.77   0.021% *  1.9034% (0.92   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HZ2   TRP   87  15.57 +/- 5.19   0.352% *  0.0864% (0.04   0.02   0.02) =   0.002%
          HG    LEU   40 - HZ2   TRP   87  14.94 +/- 3.75   0.314% *  0.0826% (0.04   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE   56  19.63 +/- 1.63   0.035% *  0.4590% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE   56  19.44 +/- 1.30   0.038% *  0.3181% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   56  27.48 +/- 2.04   0.004% *  1.9899% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE   56  22.00 +/- 1.24   0.017% *  0.4080% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  14.41 +/- 2.27   0.327% *  0.0138% (0.01   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  15.80 +/- 1.89   0.223% *  0.0177% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  19.57 +/- 2.87   0.045% *  0.0747% (0.04   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  19.87 +/- 1.97   0.039% *  0.0826% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  16.17 +/- 3.89   0.176% *  0.0177% (0.01   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  17.00 +/- 1.38   0.078% *  0.0336% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  19.14 +/- 2.57   0.050% *  0.0471% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  20.96 +/- 1.81   0.030% *  0.0650% (0.03   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  20.37 +/- 3.10   0.040% *  0.0336% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  20.61 +/- 2.33   0.031% *  0.0336% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 7 structures by 0.91 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 123.6:
          QG2   ILE   56 - HN    ILE   56   2.51 +/- 0.51  99.810% * 98.4470% (1.00   6.62 123.58) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  10.33 +/- 1.48   0.056% *  0.2160% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.60 +/- 1.11   0.012% *  0.0589% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  10.48 +/- 3.76   0.050% *  0.0122% (0.04   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.55 +/- 0.95   0.001% *  0.2814% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.59 +/- 1.08   0.016% *  0.0094% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.63 +/- 1.37   0.001% *  0.1924% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  11.90 +/- 0.70   0.016% *  0.0084% (0.03   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.59 +/- 1.02   0.001% *  0.2160% (0.73   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.07 +/- 1.18   0.001% *  0.1116% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.50 +/- 2.19   0.007% *  0.0129% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.88 +/- 3.25   0.005% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.15 +/- 1.04   0.014% *  0.0026% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  22.08 +/- 1.63   0.001% *  0.0521% (0.18   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  15.24 +/- 1.89   0.004% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.58 +/- 1.15   0.000% *  0.2814% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  19.19 +/- 4.69   0.001% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.52 +/- 1.09   0.000% *  0.0662% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.08 +/- 4.34   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  16.45 +/- 2.87   0.002% *  0.0023% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.915, support = 5.55, residual support = 69.7:
          HB3   CYS   53 - HN    ARG+  54   3.80 +/- 0.31  46.942% * 35.6356% (0.94   5.36  31.87) =  53.780%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.49 +/- 0.60  22.028% * 45.4347% (0.95   6.78 161.90) =  32.177%  kept
          QB    PHE   55 - HN    ARG+  54   4.26 +/- 0.15  23.603% * 18.4950% (0.76   3.45   3.25) =  14.035%  kept
          HD3   PRO   93 - HN    ARG+  54   7.44 +/- 1.44   1.347% *  0.1203% (0.85   0.02   0.02) =   0.005%
          HB2   PHE   59 - HN    ASP-  62   5.43 +/- 0.26   5.629% *  0.0132% (0.09   0.02   6.41) =   0.002%
          HB2   PHE   59 - HN    ARG+  54  10.13 +/- 1.16   0.166% *  0.0705% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  11.05 +/- 0.77   0.083% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.91 +/- 0.63   0.086% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.01 +/- 1.46   0.063% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.38 +/- 1.60   0.032% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.43 +/- 1.73   0.019% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.59 +/- 1.12   0.001% *  0.1163% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.5, residual support = 161.9:
      O   HB2   ARG+  54 - HN    ARG+  54   2.89 +/- 0.63  99.287% * 96.9633% (0.26  10.0   6.50 161.90) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   8.93 +/- 1.39   0.299% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  10.36 +/- 1.03   0.111% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.79 +/- 1.96   0.018% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.40 +/- 2.10   0.016% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.22 +/- 1.79   0.029% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.14 +/- 2.59   0.066% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  13.31 +/- 1.24   0.021% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.25 +/- 1.89   0.009% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  18.30 +/- 1.58   0.003% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.56 +/- 0.71   0.016% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.70 +/- 1.21   0.031% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.07 +/- 1.27   0.010% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.69 +/- 1.40   0.033% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  23.25 +/- 2.36   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.97 +/- 1.00   0.025% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.28 +/- 1.02   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.93 +/- 0.88   0.014% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.87 +/- 1.64   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  25.00 +/- 1.44   0.000% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  18.99 +/- 1.34   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  19.37 +/- 1.30   0.002% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  18.48 +/- 0.82   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.34 +/- 1.86   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.16 +/- 1.48   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.48 +/- 1.17   0.000% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  24.08 +/- 1.28   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  26.27 +/- 0.92   0.000% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.10 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.932, support = 6.46, residual support = 160.5:
          HG2   ARG+  54 - HN    ARG+  54   3.23 +/- 0.37  93.013% * 84.3919% (0.94   6.49 161.90) =  99.154%  kept
          HB3   PRO   52 - HN    ARG+  54   5.41 +/- 0.36   5.125% * 13.0354% (0.29   3.22   1.75) =   0.844%  kept
          HB    ILE   56 - HN    ARG+  54   6.99 +/- 0.72   1.229% *  0.1277% (0.46   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    ASP-  62   8.99 +/- 1.10   0.360% *  0.0239% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  15.16 +/- 1.28   0.015% *  0.2533% (0.91   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.96 +/- 1.03   0.009% *  0.2354% (0.85   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.39 +/- 1.15   0.041% *  0.0487% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.58 +/- 2.07   0.105% *  0.0152% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.19 +/- 1.62   0.005% *  0.2423% (0.87   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  19.44 +/- 3.13   0.015% *  0.0810% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  13.34 +/- 0.93   0.024% *  0.0474% (0.17   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.19 +/- 1.36   0.018% *  0.0440% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.99 +/- 1.13   0.013% *  0.0490% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.53 +/- 0.87   0.002% *  0.2618% (0.94   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.28 +/- 2.63   0.007% *  0.0474% (0.17   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.45 +/- 1.59   0.001% *  0.2572% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  24.97 +/- 1.55   0.001% *  0.2601% (0.94   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.83 +/- 1.22   0.001% *  0.2533% (0.91   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.69 +/- 1.09   0.003% *  0.0487% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.88 +/- 0.79   0.008% *  0.0152% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.93 +/- 1.01   0.002% *  0.0481% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.79 +/- 1.60   0.001% *  0.0519% (0.19   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.37 +/- 1.00   0.001% *  0.0453% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  19.20 +/- 0.80   0.003% *  0.0097% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.91 +/- 0.88   0.001% *  0.0167% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.95 +/- 1.19   0.000% *  0.0895% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.169, support = 2.77, residual support = 8.25:
          QB    ALA   61 - HN    ASP-  62   2.86 +/- 0.15  96.147% * 59.1142% (0.16   2.79   8.31) =  99.309%  kept
          QB    ALA  110 - HN    ARG+  54   7.81 +/- 3.55   1.891% * 20.4860% (0.95   0.17   0.02) =   0.677%  kept
          QG    LYS+  66 - HN    ASP-  62   6.27 +/- 0.94   1.303% *  0.2786% (0.11   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ASP-  62  11.38 +/- 2.62   0.464% *  0.4593% (0.18   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    ARG+  54   9.79 +/- 1.08   0.072% *  2.2661% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ASP-  62   9.98 +/- 0.68   0.061% *  0.3678% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.40 +/- 1.43   0.008% *  1.1949% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.54 +/- 2.00   0.002% *  2.4494% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.94 +/- 1.25   0.003% *  1.4889% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.21 +/- 1.30   0.008% *  0.4553% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.71 +/- 0.90   0.014% *  0.2236% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.16 +/- 1.80   0.002% *  1.6862% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.02 +/- 2.24   0.010% *  0.2417% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  20.43 +/- 1.30   0.001% *  2.4331% (0.94   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.72 +/- 1.13   0.001% *  1.9657% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.91 +/- 1.53   0.006% *  0.1888% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.13 +/- 2.13   0.001% *  1.2915% (0.50   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.82 +/- 1.68   0.001% *  1.0092% (0.39   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  20.87 +/- 1.08   0.001% *  0.6121% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.66 +/- 1.23   0.001% *  0.4583% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.41 +/- 0.76   0.003% *  0.1145% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.75 +/- 1.38   0.001% *  0.3155% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.55 +/- 1.98   0.000% *  0.7577% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.35 +/- 1.64   0.000% *  0.1418% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.458, support = 2.8, residual support = 10.8:
      O   HA2   GLY   51 - HN    GLY   51   2.70 +/- 0.14  42.629% * 83.6617% (0.49  10.0   2.21  10.15) =  80.359%  kept
          HD2   PRO   52 - HN    GLY   51   2.61 +/- 0.49  57.200% * 15.2385% (0.34   1.0   5.20  13.70) =  19.640%  kept
          QB    SER   48 - HN    GLY   51   7.02 +/- 0.72   0.165% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  12.83 +/- 1.01   0.003% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  17.26 +/- 1.35   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.29 +/- 3.17   0.001% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.00 +/- 1.34   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.80 +/- 1.77   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.08 +/- 1.74   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.45 +/- 2.83   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.23 +/- 1.49   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.53 +/- 1.28   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.18, residual support = 7.22:
      O   QB    CYS   50 - HN    CYS   50   2.93 +/- 0.27  99.615% * 99.5035% (0.69  10.0   1.18   7.22) =  99.999%  kept
          HB3   ASP-  78 - HN    CYS   50   9.09 +/- 2.24   0.312% *  0.2049% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50  10.22 +/- 1.39   0.072% *  0.1781% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.26 +/- 2.40   0.000% *  0.0378% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.19 +/- 1.24   0.000% *  0.0757% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.0, residual support = 7.07:
          QB    ALA   47 - HN    CYS   50   2.23 +/- 0.61  99.988% * 97.6696% (0.57   2.00   7.07) = 100.000%  kept
          QG1   VAL   42 - HN    CYS   50  14.92 +/- 0.53   0.004% *  0.7742% (0.45   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    CYS   50  14.86 +/- 1.31   0.002% *  1.2539% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  15.47 +/- 2.94   0.006% *  0.3024% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.321, support = 3.55, residual support = 14.8:
      O   HA    SER   48 - HN    TRP   49   3.55 +/- 0.06  32.077% * 70.3408% (0.22  10.0   3.26  14.85) =  56.438%  kept
          QB    SER   48 - HN    TRP   49   3.16 +/- 0.42  62.664% * 27.7774% (0.45   1.0   3.92  14.85) =  43.538%  kept
          HD2   PRO   52 - HN    TRP   49   5.33 +/- 0.71   4.524% *  0.2044% (0.65   1.0   0.02   3.47) =   0.023%
          HA2   GLY   51 - HN    TRP   49   6.96 +/- 0.66   0.696% *  0.0703% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.00 +/- 0.93   0.024% *  0.1078% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  14.88 +/- 1.33   0.007% *  0.3049% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  16.19 +/- 1.92   0.005% *  0.1299% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  25.19 +/- 3.29   0.002% *  0.2170% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  22.99 +/- 1.52   0.000% *  0.3132% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.61 +/- 1.46   0.000% *  0.3049% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  26.90 +/- 2.83   0.000% *  0.0878% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.46 +/- 1.10   0.000% *  0.1416% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 74.7:
      O   HB3   TRP   49 - HN    TRP   49   2.78 +/- 0.38  99.996% * 99.8958% (0.80  10.0   4.00  74.65) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.54 +/- 1.10   0.004% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.412, support = 2.56, residual support = 9.49:
      O   QB    SER   48 - HN    SER   48   2.35 +/- 0.20  71.897% * 66.2308% (0.45  10.0   2.54   9.49) =  83.852%  kept
      O   HA    SER   48 - HN    SER   48   2.77 +/- 0.05  27.882% * 32.8893% (0.22  10.0   2.61   9.49) =  16.148%  kept
          HD2   PRO   52 - HN    SER   48   6.86 +/- 0.90   0.168% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   9.00 +/- 0.79   0.036% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  10.55 +/- 1.06   0.011% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  13.25 +/- 1.51   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  14.57 +/- 2.12   0.002% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  24.95 +/- 2.95   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.31 +/- 1.65   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.61 +/- 1.62   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  26.37 +/- 2.44   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.24 +/- 1.14   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.27:
          QB    ALA   47 - HN    SER   48   2.81 +/- 0.26  99.984% * 99.1202% (0.90   4.08   6.27) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.64 +/- 0.49   0.007% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.28 +/- 1.29   0.006% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.89 +/- 3.11   0.003% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.824, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.66 +/- 1.31  82.183% * 52.2208% (0.84   0.02   0.02) =  83.448%  kept
          HB2   TRP   87 - HN    ALA   47  13.81 +/- 2.79  17.817% * 47.7792% (0.76   0.02   0.02) =  16.552%  kept
    Distance limit 4.13 A violated in 20 structures by 4.96 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.48, residual support = 6.9:
          QB    CYS   50 - HN    ALA   47   3.67 +/- 0.91  89.174% * 73.9214% (0.97   1.50   7.07) =  97.556%  kept
          QE    LYS+  74 - HN    ALA   47   7.04 +/- 1.28   6.604% * 24.6934% (0.98   0.49   0.02) =   2.413%  kept
          HB3   ASP-  78 - HN    ALA   47   8.48 +/- 1.58   4.180% *  0.4971% (0.49   0.02   0.75) =   0.031%
          HB2   PHE   72 - HN    ALA   47  14.45 +/- 1.09   0.041% *  0.2274% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.69 +/- 1.08   0.001% *  0.6607% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 1 structures by 0.19 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   3.14 +/- 0.67  99.788% * 97.5700% (0.97   3.21  12.66) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.25 +/- 1.12   0.141% *  0.5658% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  12.28 +/- 0.33   0.047% *  0.4334% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.02 +/- 0.94   0.013% *  0.5968% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  16.85 +/- 0.49   0.007% *  0.3071% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.91 +/- 0.79   0.003% *  0.5270% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.38 +/- 0.14  99.981% * 99.7622% (0.57  10.0   2.36  10.97) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.20 +/- 1.21   0.008% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.79 +/- 0.44   0.007% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  14.51 +/- 2.61   0.004% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.15 +/- 0.39  99.696% * 99.3656% (0.25  10.0   3.25  34.51) = 100.000%  kept
          HB2   HIS   22 - HN    THR   46  10.28 +/- 2.30   0.293% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.84 +/- 1.51   0.009% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.36 +/- 1.70   0.003% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 12.0:
          QG2   THR   77 - HN    THR   46   3.02 +/- 0.40  97.119% * 95.6479% (0.61   3.60  12.00) =  99.990%  kept
          HB3   ASP-  44 - HN    THR   46   6.15 +/- 0.53   2.068% *  0.1952% (0.22   0.02   0.02) =   0.004%
          QB    ALA   88 - HN    THR   46  11.14 +/- 1.60   0.417% *  0.8295% (0.95   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    THR   46   8.57 +/- 1.18   0.362% *  0.3605% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    THR   46  13.38 +/- 1.35   0.021% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  16.33 +/- 2.13   0.007% *  0.5672% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.78 +/- 0.93   0.004% *  0.4964% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.81 +/- 0.70   0.001% *  0.7864% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.07 +/- 0.68   0.000% *  0.8462% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.68 +/- 1.74  61.686% * 32.0586% (0.99   0.02   0.02) =  69.478%  kept
          QD1   ILE  119 - HN    THR   46  12.53 +/- 1.45  27.468% * 25.8997% (0.80   0.02   0.02) =  24.993%  kept
          HG3   LYS+ 112 - HN    THR   46  16.62 +/- 2.51   8.622% *  9.9831% (0.31   0.02   0.02) =   3.024%  kept
          HB2   LEU  104 - HN    THR   46  18.36 +/- 0.90   2.224% * 32.0586% (0.99   0.02   0.02) =   2.505%  kept
    Distance limit 4.56 A violated in 20 structures by 4.99 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   2.42 +/- 0.36  99.814% * 97.4005% (0.97   3.39  34.51) =  99.999%  kept
          QG2   VAL   18 - HN    THR   46   8.83 +/- 1.12   0.074% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    THR   46   8.87 +/- 0.33   0.064% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.35 +/- 0.78   0.009% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.97 +/- 0.92   0.030% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.53 +/- 0.53   0.005% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.65 +/- 0.91   0.003% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.32 +/- 0.80   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.87:
          QG1   VAL   75 - HN    THR   46   4.04 +/- 0.96  99.667% * 99.0129% (0.92   1.66   1.87) =  99.997%  kept
          QD1   LEU  115 - HN    THR   46  11.68 +/- 1.94   0.333% *  0.9871% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.41 A violated in 2 structures by 0.23 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   3.55 +/- 0.41  99.479% * 94.1909% (0.65   3.30  27.15) =  99.997%  kept
          QB    SER   48 - HN    PHE   45  11.26 +/- 0.56   0.139% *  0.6747% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  12.56 +/- 0.76   0.066% *  0.8520% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  11.68 +/- 1.22   0.109% *  0.3012% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  15.75 +/- 1.10   0.018% *  0.8150% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  11.88 +/- 0.69   0.091% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  14.26 +/- 1.14   0.030% *  0.4297% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  13.81 +/- 1.10   0.038% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  17.51 +/- 1.66   0.009% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  17.99 +/- 0.96   0.008% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.98 +/- 1.86   0.008% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.13 +/- 0.62   0.005% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.5:
      O   HB2   PHE   45 - HN    PHE   45   2.62 +/- 0.41  99.936% * 99.8561% (0.99  10.0   3.68  80.46) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  10.28 +/- 0.98   0.050% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  13.36 +/- 2.04   0.014% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.01, residual support = 80.5:
      O   HB3   PHE   45 - HN    PHE   45   3.42 +/- 0.43  98.789% * 99.6079% (0.87  10.0   4.01  80.46) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   7.70 +/- 0.53   1.067% *  0.0515% (0.45   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    PHE   45  13.01 +/- 1.88   0.055% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  12.45 +/- 0.47   0.052% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.67 +/- 1.03   0.033% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.26 +/- 0.81   0.004% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.479, support = 4.04, residual support = 18.6:
          HB3   ASP-  44 - HN    PHE   45   3.35 +/- 0.25  86.982% * 64.5586% (0.49   4.10  19.03) =  96.415%  kept
          QG2   THR   77 - HN    PHE   45   5.34 +/- 0.60   7.079% * 25.7984% (0.31   2.59   8.44) =   3.135%  kept
          HB3   PRO   93 - HN    PHE   45   6.35 +/- 0.99   4.779% *  5.4146% (0.15   1.09   0.02) =   0.444%
          QB    ALA   84 - HN    PHE   45   7.92 +/- 1.00   0.628% *  0.1133% (0.18   0.02   0.50) =   0.001%
          QB    ALA   88 - HN    PHE   45  10.19 +/- 0.76   0.138% *  0.4442% (0.69   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    PHE   45  10.22 +/- 1.05   0.129% *  0.4696% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   45  10.48 +/- 1.38   0.130% *  0.3922% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   45  13.86 +/- 2.32   0.047% *  0.5970% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   45  11.62 +/- 1.51   0.071% *  0.1613% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.32 +/- 0.77   0.010% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.06 +/- 0.63   0.004% *  0.6453% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.26 +/- 0.60   0.001% *  0.6241% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.60 +/- 1.80   0.002% *  0.2206% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.807, support = 1.13, residual support = 11.7:
          QD1   ILE   89 - HN    PHE   45   4.63 +/- 0.47  94.163% * 59.2097% (0.80   1.15  12.06) =  96.599%  kept
          QG2   VAL   83 - HN    PHE   45   7.99 +/- 0.86   4.918% * 39.7173% (0.98   0.63   1.02) =   3.384%  kept
          QD2   LEU   31 - HN    PHE   45  10.33 +/- 0.60   0.920% *  1.0731% (0.84   0.02   0.02) =   0.017%
    Distance limit 4.27 A violated in 2 structures by 0.37 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.17 +/- 0.39  99.844% * 98.4423% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.73 +/- 0.64   0.048% *  0.3852% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  12.83 +/- 1.32   0.078% *  0.2157% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  14.44 +/- 1.96   0.017% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.23 +/- 1.06   0.003% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.65 +/- 0.93   0.009% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.35 +/- 1.22   0.003% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.06:
          HN    CYS   50 - HN    CYS   53   4.68 +/- 0.67  99.959% * 77.1198% (0.87  1.00   0.75   8.06) =  99.988%  kept
        T HN    VAL   83 - HN    CYS   53  18.45 +/- 1.36   0.041% * 22.8802% (0.97 10.00   0.02   0.02) =   0.012%
    Distance limit 4.68 A violated in 0 structures by 0.29 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 53.9:
      O   HA    PRO   52 - HN    CYS   53   3.47 +/- 0.03  99.850% * 99.8358% (0.61  10.0   7.18  53.91) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  11.48 +/- 2.88   0.150% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.78, residual support = 44.1:
      O   HA    CYS   53 - HN    CYS   53   2.78 +/- 0.05  99.993% * 99.7036% (0.90  10.0   4.78  44.11) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.61 +/- 1.91   0.005% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  18.71 +/- 1.42   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.06 +/- 1.83   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.90 +/- 1.61   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.65 +/- 1.69   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.99 +/- 1.40   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.16, residual support = 53.4:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  98.479% * 60.8545% (0.34   8.20  53.91) =  99.125%  kept
          HA2   GLY   51 - HN    CYS   53   4.62 +/- 0.19   1.454% * 36.3602% (0.49   3.43   0.02) =   0.874%  kept
          QB    SER   48 - HN    CYS   53   8.59 +/- 0.85   0.048% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.59 +/- 1.33   0.013% *  0.2816% (0.65   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  19.72 +/- 3.01   0.003% *  0.4117% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.16 +/- 1.22   0.001% *  0.4201% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.61 +/- 1.66   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.54 +/- 1.16   0.000% *  0.4018% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  21.82 +/- 2.71   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  17.27 +/- 1.60   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.08 +/- 1.39   0.000% *  0.4201% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.94 +/- 1.41   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 4.96, residual support = 44.4:
      O   HB2   CYS   53 - HN    CYS   53   2.65 +/- 0.52  83.838% * 84.8590% (0.98  10.0   4.92  44.11) =  96.738%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.02  16.065% * 14.9344% (0.57   1.0   6.09  53.91) =   3.262%  kept
          HD2   PRO   58 - HN    CYS   53   8.62 +/- 1.15   0.095% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  19.03 +/- 1.72   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.54 +/- 1.68   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.89 +/- 1.33   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.8, residual support = 44.1:
      O   HB3   CYS   53 - HN    CYS   53   2.76 +/- 0.52  88.043% * 99.5214% (0.97  10.0   5.80  44.11) =  99.986%  kept
          HD3   PRO   93 - HN    CYS   53   5.80 +/- 2.04   7.325% *  0.1029% (1.00   1.0   0.02   0.02) =   0.009%
          QB    PHE   55 - HN    CYS   53   4.96 +/- 0.25   3.745% *  0.0995% (0.97   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HN    CYS   53   6.73 +/- 0.81   0.825% *  0.0952% (0.92   1.0   0.02  31.87) =   0.001%
          HB2   PHE   59 - HN    CYS   53  10.87 +/- 1.26   0.062% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.18 +/- 1.38   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.94, residual support = 8.06:
          QB    CYS   50 - HN    CYS   53   4.51 +/- 0.51  96.441% * 98.0369% (0.69   2.94   8.06) =  99.973%  kept
          QE    LYS+  74 - HN    CYS   53   9.89 +/- 1.61   2.806% *  0.7042% (0.73   0.02   0.02) =   0.021%
          HB3   ASP-  78 - HN    CYS   53  12.74 +/- 2.14   0.730% *  0.8100% (0.84   0.02   0.02) =   0.006%
          HB3   HIS  122 - HN    CYS   53  20.13 +/- 2.61   0.022% *  0.1496% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.46 +/- 1.18   0.002% *  0.2993% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 53.9:
          HG2   PRO   52 - HN    CYS   53   3.15 +/- 0.43  96.944% * 94.9824% (0.25   7.21  53.91) =  99.974%  kept
          HG2   MET   92 - HN    CYS   53   6.29 +/- 1.03   2.798% *  0.8079% (0.76   0.02   0.02) =   0.025%
          QG    GLU- 114 - HN    CYS   53  11.89 +/- 2.08   0.136% *  0.7262% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  12.00 +/- 1.29   0.055% *  0.2636% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  12.34 +/- 1.56   0.053% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  16.23 +/- 1.95   0.008% *  0.6412% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  17.19 +/- 1.31   0.006% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.71 +/- 1.25   0.001% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  23.78 +/- 1.77   0.001% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  32.24 +/- 1.97   0.000% *  0.8465% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.16 +/- 1.53   0.000% *  0.8079% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.962, support = 7.13, residual support = 53.4:
          HG3   PRO   52 - HN    CYS   53   3.97 +/- 0.48  76.313% * 90.6428% (0.98   7.21  53.91) =  97.746%  kept
          HB2   ARG+  54 - HN    CYS   53   5.33 +/- 0.74  18.970% *  8.3814% (0.18   3.73  31.87) =   2.247%  kept
          HB2   PRO   93 - HN    CYS   53   7.37 +/- 2.09   4.384% *  0.1055% (0.41   0.02   0.02) =   0.007%
          HG2   PRO   58 - HN    CYS   53  10.74 +/- 0.94   0.258% *  0.2516% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  13.94 +/- 2.53   0.072% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  26.65 +/- 1.81   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  26.25 +/- 1.17   0.001% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  36.22 +/- 2.17   0.000% *  0.2566% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.659, support = 7.2, residual support = 52.8:
      O   HB3   PRO   52 - HN    CYS   53   3.98 +/- 0.38  81.335% * 77.6985% (0.65  10.0   7.37  53.91) =  95.132%  kept
          HG2   ARG+  54 - HN    CYS   53   5.43 +/- 0.43  15.050% * 21.4812% (0.90   1.0   3.99  31.87) =   4.867%  kept
          HB    ILE   56 - HN    CYS   53   7.41 +/- 1.02   3.057% *  0.0238% (0.20   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    CYS   53  20.02 +/- 3.45   0.375% *  0.0777% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    CYS   53  13.29 +/- 1.58   0.094% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.97 +/- 1.48   0.038% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  15.56 +/- 1.85   0.031% *  0.0728% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.94 +/- 1.43   0.006% *  0.1042% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.29 +/- 1.86   0.003% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  24.54 +/- 1.45   0.002% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.37 +/- 1.42   0.002% *  0.1136% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.33 +/- 2.20   0.004% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.43 +/- 1.53   0.003% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.86, residual support = 45.8:
        T HN    GLN   32 - HN    LEU   31   2.60 +/- 0.11  97.016% * 99.2679% (0.78 10.00   5.86  45.76) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.69 +/- 0.20   2.949% *  0.0183% (0.14  1.00   0.02   3.61) =   0.001%
          HN    THR   94 - HN    PHE   55  10.33 +/- 1.03   0.031% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  15.86 +/- 0.79   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.39 +/- 0.59   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.43 +/- 1.49   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.81 +/- 0.92   0.000% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.70 +/- 1.53   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.53, support = 7.09, residual support = 51.7:
        T HN    GLN   30 - HN    LEU   31   2.48 +/- 0.08  96.994% * 79.1854% (0.53 10.00   7.13  52.11) =  99.218%  kept
          HN    GLU-  29 - HN    LEU   31   4.42 +/- 0.17   3.000% * 20.1690% (0.91  1.00   2.94   0.02) =   0.782%  kept
          HN    ASP-  86 - HN    LEU   31  14.71 +/- 1.59   0.003% *  0.0905% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.43 +/- 0.64   0.002% *  0.0389% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.67 +/- 1.79   0.000% *  0.3863% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  16.86 +/- 1.61   0.001% *  0.0190% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.57 +/- 1.26   0.000% *  0.0441% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.14 +/- 1.84   0.000% *  0.0669% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 3.19, residual support = 20.2:
      O   HA    PHE   55 - HN    PHE   55   2.81 +/- 0.06  96.130% * 99.0930% (0.48  10.0   3.19  20.19) =  99.998%  kept
          HA    ALA  110 - HN    PHE   55   8.56 +/- 3.90   0.936% *  0.1465% (0.71   1.0   0.02   0.19) =   0.001%
          HA    TRP   27 - HN    LEU   31   5.07 +/- 0.23   2.896% *  0.0276% (0.13   1.0   0.02  18.08) =   0.001%
          HA    ALA   91 - HN    PHE   55  11.90 +/- 1.57   0.023% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.99 +/- 1.17   0.007% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  15.08 +/- 1.45   0.005% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.09 +/- 1.12   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.39 +/- 0.93   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.15 +/- 2.20   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.46 +/- 0.67   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.34 +/- 1.76   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.39 +/- 1.91   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 2.9, residual support = 20.2:
      O   QB    PHE   55 - HN    PHE   55   2.02 +/- 0.08  99.161% * 99.1124% (0.79  10.0   2.90  20.19) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.27 +/- 0.59   0.439% *  0.0867% (0.69   1.0   0.02   3.25) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.34 +/- 0.25   0.317% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   7.61 +/- 1.55   0.061% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.71 +/- 1.02   0.022% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.26 +/- 0.90   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.91 +/- 1.02   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.05 +/- 1.83   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.54 +/- 0.73   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.61 +/- 0.94   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.84 +/- 1.52   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.49 +/- 2.77   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.353, support = 3.33, residual support = 9.26:
      O   HA    ARG+  54 - HN    PHE   55   3.53 +/- 0.03  34.221% * 70.8461% (0.25  10.0   3.05   3.25) =  58.264%  kept
          HA    ASN   28 - HN    LEU   31   3.18 +/- 0.08  64.232% * 27.0344% (0.50   1.0   3.72  17.65) =  41.731%  kept
          HA    THR   26 - HN    LEU   31   6.52 +/- 0.31   0.904% *  0.1125% (0.39   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LEU   31   7.22 +/- 0.22   0.477% *  0.1678% (0.58   1.0   0.02   3.61) =   0.002%
          HA1   GLY  101 - HN    LEU   31  10.98 +/- 2.40   0.097% *  0.1735% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.27 +/- 1.50   0.055% *  0.1991% (0.69   1.0   0.02   5.43) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.15 +/- 1.49   0.011% *  0.2171% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.98 +/- 1.82   0.001% *  0.1508% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.70 +/- 1.45   0.000% *  0.1917% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.49 +/- 1.19   0.000% *  0.1645% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.19 +/- 2.65   0.001% *  0.0511% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.27 +/- 2.10   0.000% *  0.1485% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.85 +/- 1.55   0.000% *  0.2215% (0.77   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.67 +/- 1.77   0.000% *  0.2290% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.76 +/- 1.54   0.000% *  0.0537% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.49 +/- 4.85   0.000% *  0.0387% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.16, residual support = 232.6:
      O   HA    LEU   31 - HN    LEU   31   2.82 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.16 232.59) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  26.01 +/- 1.30   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.488, support = 5.69, residual support = 41.3:
          HB2   GLN   30 - HN    LEU   31   3.61 +/- 0.38  43.941% * 34.2310% (0.48   6.09  52.11) =  54.153%  kept
          HG3   GLN   30 - HN    LEU   31   4.66 +/- 0.65  13.496% * 48.9445% (0.60   7.03  52.11) =  23.782%  kept
          HB2   ARG+  54 - HN    PHE   55   3.60 +/- 0.21  41.579% * 14.7386% (0.39   3.27   3.25) =  22.063%  kept
          HB2   PRO   93 - HN    PHE   55   8.11 +/- 1.75   0.702% *  0.0413% (0.18   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    PHE   55  13.76 +/- 1.74   0.042% *  0.1484% (0.64   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  11.96 +/- 2.34   0.056% *  0.1050% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31   9.74 +/- 0.57   0.113% *  0.0433% (0.19   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  13.32 +/- 1.67   0.023% *  0.1218% (0.52   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.62 +/- 1.90   0.014% *  0.1050% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.78 +/- 1.22   0.017% *  0.0684% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.42 +/- 0.79   0.005% *  0.0684% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  18.84 +/- 1.73   0.003% *  0.0902% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  20.34 +/- 1.28   0.001% *  0.1218% (0.52   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  24.32 +/- 2.53   0.001% *  0.1837% (0.79   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.51 +/- 1.36   0.001% *  0.0795% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.75 +/- 1.74   0.001% *  0.1484% (0.64   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  24.41 +/- 1.40   0.000% *  0.1608% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.51 +/- 1.17   0.001% *  0.0902% (0.39   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  24.07 +/- 2.78   0.001% *  0.1124% (0.48   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.54 +/- 1.05   0.001% *  0.0313% (0.13   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.85 +/- 2.06   0.000% *  0.0684% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.69 +/- 1.69   0.000% *  0.0795% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  31.02 +/- 1.49   0.000% *  0.1608% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.98 +/- 1.98   0.000% *  0.0572% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 7.16, residual support = 232.6:
      O   HB2   LEU   31 - HN    LEU   31   2.51 +/- 0.18  99.580% * 98.5368% (0.78  10.0   7.16 232.59) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.37 +/- 1.63   0.314% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.25 +/- 1.20   0.030% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  11.51 +/- 0.75   0.012% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.15 +/- 2.72   0.019% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.98 +/- 1.42   0.012% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  13.09 +/- 0.52   0.006% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.55 +/- 0.63   0.003% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.48 +/- 0.66   0.007% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.30 +/- 0.92   0.005% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.04 +/- 1.32   0.004% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.99 +/- 1.12   0.003% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  19.01 +/- 1.05   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.54 +/- 2.41   0.001% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.71 +/- 0.99   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.88 +/- 1.28   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.97 +/- 1.78   0.001% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.49 +/- 4.18   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.71 +/- 1.65   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.98 +/- 2.57   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.27 +/- 1.14   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  27.00 +/- 1.34   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.75 +/- 1.17   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.62 +/- 1.62   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.16, residual support = 232.6:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.03  98.508% * 99.4260% (0.83  10.0   7.16 232.59) = 100.000%  kept
          HD3   LYS+ 112 - HN    PHE   55   9.45 +/- 2.25   0.651% *  0.0167% (0.14   1.0   0.02   2.69) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.27 +/- 0.32   0.095% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LEU   31   9.15 +/- 0.31   0.334% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.85 +/- 1.51   0.312% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.77 +/- 1.32   0.059% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  15.29 +/- 1.62   0.023% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.36 +/- 0.86   0.007% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.25 +/- 3.09   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.84 +/- 1.82   0.003% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  24.35 +/- 4.10   0.001% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.51 +/- 1.64   0.003% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.73 +/- 1.14   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.92 +/- 2.06   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.634, support = 7.52, residual support = 224.9:
          HG    LEU   31 - HN    LEU   31   2.80 +/- 0.59  84.843% * 64.3149% (0.64   7.69 232.59) =  96.448%  kept
          QD1   ILE   56 - HN    PHE   55   5.14 +/- 0.89   8.774% * 19.2877% (0.45   3.27  18.88) =   2.991%  kept
          QD2   LEU   73 - HN    LEU   31   6.30 +/- 1.76   2.014% * 15.6626% (0.78   1.54   3.26) =   0.557%  kept
          QG1   VAL   41 - HN    LEU   31   5.18 +/- 0.67   4.362% *  0.0427% (0.16   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    LEU   31  19.10 +/- 1.59   0.001% *  0.2415% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.84 +/- 1.90   0.003% *  0.0993% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  23.50 +/- 4.27   0.001% *  0.1673% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.65 +/- 1.94   0.001% *  0.0816% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.74 +/- 1.50   0.000% *  0.0816% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.31 +/- 1.27   0.001% *  0.0208% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.91, residual support = 232.6:
          QD2   LEU   31 - HN    LEU   31   2.08 +/- 0.42  99.880% * 97.7552% (0.18   6.91 232.59) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   7.25 +/- 0.55   0.118% *  1.4161% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  14.77 +/- 1.19   0.001% *  0.6908% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  20.00 +/- 0.99   0.000% *  0.1379% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.601, support = 2.04, residual support = 3.25:
          QD1   LEU   73 - HN    LEU   31   4.64 +/- 2.01  87.105% * 90.9733% (0.60   2.04   3.26) =  99.845%  kept
          QD2   LEU   80 - HN    LEU   31   7.99 +/- 0.42   4.646% *  1.3283% (0.90   0.02   0.02) =   0.078%
          QG1   VAL   83 - HN    LEU   31   9.10 +/- 2.72   3.400% *  0.8904% (0.60   0.02   0.02) =   0.038%
          QD2   LEU  115 - HN    PHE   55   8.24 +/- 1.14   3.705% *  0.6351% (0.43   0.02   5.43) =   0.030%
          QD1   LEU  104 - HN    LEU   31  13.48 +/- 0.99   0.232% *  1.3642% (0.92   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    PHE   55  11.15 +/- 0.92   0.450% *  0.4343% (0.29   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    PHE   55  17.63 +/- 1.97   0.270% *  0.4343% (0.29   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   31  15.15 +/- 1.48   0.085% *  0.8904% (0.60   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   31  20.09 +/- 2.56   0.021% *  1.3020% (0.88   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    PHE   55  17.25 +/- 1.31   0.039% *  0.6480% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  18.45 +/- 1.56   0.031% *  0.4343% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.77 +/- 1.28   0.016% *  0.6655% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 2 structures by 0.53 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.671, support = 8.09, residual support = 51.8:
          HB3   GLN   30 - HN    LEU   31   2.97 +/- 0.36  93.089% * 87.9127% (0.68   8.13  52.11) =  99.194%  kept
          HB    ILE   56 - HN    PHE   55   5.24 +/- 0.71   6.430% * 10.3324% (0.17   3.79  18.88) =   0.805%  kept
          HB2   MET   92 - HN    PHE   55   9.04 +/- 1.87   0.263% *  0.1260% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    PHE   55   9.32 +/- 1.22   0.170% *  0.1424% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.14 +/- 0.45   0.014% *  0.1567% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.27 +/- 1.06   0.024% *  0.0460% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  16.54 +/- 2.14   0.005% *  0.1118% (0.35   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.76 +/- 1.08   0.001% *  0.2584% (0.81   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  24.07 +/- 2.38   0.001% *  0.1686% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  25.71 +/- 1.04   0.000% *  0.2920% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.35 +/- 1.31   0.003% *  0.0224% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.77 +/- 1.68   0.000% *  0.1055% (0.33   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  24.16 +/- 1.13   0.000% *  0.1118% (0.35   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.06 +/- 2.57   0.000% *  0.0545% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.90 +/- 1.29   0.000% *  0.0764% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  36.03 +/- 2.23   0.000% *  0.0823% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.533, support = 6.14, residual support = 45.3:
          HG2   GLN   30 - HN    LEU   31   4.66 +/- 0.49  56.033% * 75.8325% (0.49   7.27  52.11) =  80.227%  kept
          HB3   ASN   28 - HN    LEU   31   4.86 +/- 0.17  43.932% * 23.8380% (0.71   1.57  17.65) =  19.773%  kept
          QE    LYS+ 121 - HN    LEU   31  20.66 +/- 3.93   0.012% *  0.0537% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.75 +/- 1.81   0.018% *  0.0262% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.60 +/- 1.86   0.004% *  0.1018% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.73 +/- 1.46   0.001% *  0.1478% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.51, residual support = 52.1:
      O   HA    GLN   30 - HN    LEU   31   3.58 +/- 0.03  86.705% * 98.9089% (0.64  10.0   6.51  52.11) =  99.996%  kept
          HB2   CYS   53 - HN    PHE   55   5.14 +/- 0.18  10.102% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.47 +/- 0.37   2.703% *  0.0537% (0.35   1.0   0.02   0.41) =   0.002%
          HB    THR   39 - HN    LEU   31  10.37 +/- 0.91   0.170% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.78 +/- 0.38   0.215% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  14.68 +/- 2.40   0.025% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.91 +/- 1.97   0.008% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.68 +/- 1.73   0.045% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  15.65 +/- 1.16   0.014% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  17.56 +/- 0.81   0.007% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.02 +/- 1.33   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.24 +/- 1.44   0.002% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.49 +/- 1.83   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  22.28 +/- 2.42   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.10 +/- 1.93   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  26.65 +/- 1.58   0.001% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  27.25 +/- 1.50   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.85 +/- 1.80   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.42, residual support = 161.9:
      O   HA    ARG+  54 - HN    ARG+  54   2.73 +/- 0.04  99.886% * 99.0002% (0.61  10.0   6.42 161.90) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  12.91 +/- 1.35   0.012% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.04 +/- 0.96   0.048% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.48 +/- 1.04   0.038% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  15.93 +/- 1.59   0.003% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.05 +/- 1.01   0.006% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  25.62 +/- 3.09   0.001% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.72 +/- 1.99   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.68 +/- 2.10   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.65 +/- 1.47   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.53 +/- 0.91   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.47 +/- 1.45   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.64 +/- 1.75   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.86 +/- 1.96   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.59 +/- 0.77   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.40 +/- 1.25   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.89 +/- 0.82   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.83 +/- 1.15   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 74.7:
      O   HB2   TRP   49 - HN    TRP   49   3.53 +/- 0.10  99.935% * 99.6106% (0.98  10.0   4.00  74.65) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  13.60 +/- 0.94   0.033% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  15.29 +/- 2.84   0.028% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  21.93 +/- 1.74   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  22.60 +/- 2.09   0.002% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 15.9:
          QB    ALA   47 - HE1   TRP   49   2.78 +/- 0.83  99.937% * 98.5650% (1.00   2.55  15.93) = 100.000%  kept
          HG2   LYS+ 112 - HE1   TRP   49  15.72 +/- 3.13   0.052% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   42 - HE1   TRP   49  15.53 +/- 1.26   0.006% *  0.7486% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.69 +/- 1.30   0.004% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 15.9:
          QB    ALA   47 - HN    TRP   49   2.73 +/- 0.15  99.991% * 99.0212% (1.00   3.75  15.93) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.82 +/- 0.48   0.003% *  0.5106% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.36 +/- 3.21   0.003% *  0.3634% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.05 +/- 1.18   0.003% *  0.1047% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.751, support = 0.071, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   3.97 +/- 0.71  90.929% * 11.8522% (0.90   0.02   0.02) =  70.204%  kept
          HD3   PRO   52 - HN    ALA   47   7.12 +/- 1.27   8.635% * 52.4583% (0.41   0.19   0.02) =  29.507%  kept
          HD2   PRO   58 - HN    ALA   47  10.92 +/- 1.42   0.274% * 10.5823% (0.80   0.02   0.02) =   0.189%
          HA    VAL   83 - HN    ALA   47  14.92 +/- 1.73   0.154% *  9.5965% (0.73   0.02   0.02) =   0.096%
          HA    GLN   30 - HN    ALA   47  20.48 +/- 0.90   0.007% *  6.4328% (0.49   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ALA   47  26.01 +/- 0.89   0.002% *  9.0779% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 1 structures by 0.11 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 37.8:
      O   HB2   ASP-  44 - HN    ASP-  44   2.64 +/- 0.24  99.173% * 99.4473% (0.87  10.0   3.03  37.79) =  99.999%  kept
          HB3   PHE   72 - HN    ASP-  44   6.43 +/- 0.81   0.783% *  0.0876% (0.76   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  12.32 +/- 1.15   0.012% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.14 +/- 0.90   0.008% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.89 +/- 2.17   0.012% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.61 +/- 1.03   0.003% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.36 +/- 1.28   0.009% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.85 +/- 1.47   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.76 +/- 0.75   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 7.18:
          HB2   LEU   73 - HN    ASP-  44   4.97 +/- 0.89  89.941% * 95.6435% (0.87   2.72   7.19) =  99.960%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.16 +/- 1.39   1.488% *  0.7942% (0.98   0.02   0.02) =   0.014%
          QG1   ILE   56 - HN    ASP-  44  10.79 +/- 1.11   1.391% *  0.4915% (0.61   0.02   0.02) =   0.008%
          HB    ILE   89 - HN    ASP-  44   9.99 +/- 1.42   5.042% *  0.1250% (0.15   0.02   0.02) =   0.007%
          HB3   MET   92 - HN    ASP-  44  12.40 +/- 0.76   0.561% *  0.5884% (0.73   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ASP-  44  13.99 +/- 0.77   0.241% *  0.8031% (0.99   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    ASP-  44  12.12 +/- 1.31   0.760% *  0.2501% (0.31   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ASP-  44  13.70 +/- 0.80   0.304% *  0.3944% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  18.24 +/- 1.97   0.078% *  0.4915% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  15.65 +/- 1.27   0.143% *  0.1419% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  19.01 +/- 2.62   0.052% *  0.2764% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 9 structures by 0.70 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.555, support = 1.26, residual support = 6.11:
          HB2   LYS+  74 - HN    ASP-  44   5.27 +/- 0.44  57.086% * 62.4647% (0.65   1.22   6.12) =  75.071%  kept
          HD3   LYS+  74 - HN    ASP-  44   5.66 +/- 0.80  39.491% * 29.8699% (0.28   1.36   6.12) =  24.833%  kept
          QG2   THR   26 - HN    ASP-  44   8.99 +/- 0.49   2.490% *  1.4172% (0.90   0.02   0.02) =   0.074%
          HG2   LYS+  65 - HN    ASP-  44  13.50 +/- 1.66   0.282% *  1.4949% (0.95   0.02   0.02) =   0.009%
          QD    LYS+  66 - HN    ASP-  44  15.26 +/- 1.29   0.128% *  1.4172% (0.90   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    ASP-  44  16.17 +/- 2.87   0.107% *  1.5490% (0.98   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    ASP-  44  13.83 +/- 0.97   0.216% *  0.6497% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - HN    ASP-  44  16.41 +/- 2.67   0.098% *  0.6497% (0.41   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    ASP-  44  16.23 +/- 2.20   0.102% *  0.4877% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 1 structures by 0.29 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.63 +/- 0.20  98.099% * 99.1884% (0.99  10.0   3.71  37.79) =  99.998%  kept
          HG    LEU   98 - HN    ASP-  44   9.67 +/- 1.21   0.355% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  44   9.89 +/- 1.20   0.354% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44   9.50 +/- 0.81   0.346% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44  10.03 +/- 1.19   0.295% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  10.04 +/- 1.01   0.278% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.16 +/- 0.82   0.081% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.48 +/- 1.02   0.123% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  17.30 +/- 2.43   0.017% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.87 +/- 2.59   0.007% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.42 +/- 0.76   0.018% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.16 +/- 2.18   0.010% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.70 +/- 0.53   0.006% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.26 +/- 1.05   0.010% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.14 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   4.21 +/- 0.20  79.567% * 97.7625% (0.90   4.17  15.23) =  99.871%  kept
          QG2   VAL   18 - HN    ASP-  44   6.37 +/- 0.89   9.530% *  0.5212% (1.00   0.02   0.02) =   0.064%
          QG2   THR   46 - HN    ASP-  44   6.68 +/- 0.88   7.506% *  0.5177% (0.99   0.02   0.02) =   0.050%
          QG1   VAL   41 - HN    ASP-  44   8.20 +/- 0.48   1.559% *  0.3793% (0.73   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    ASP-  44   8.61 +/- 0.48   1.174% *  0.3992% (0.76   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    ASP-  44   9.92 +/- 0.88   0.525% *  0.1034% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  12.71 +/- 0.90   0.140% *  0.3168% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.10 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   2.83 +/- 0.28  98.435% * 99.0026% (0.65   3.71  15.23) =  99.995%  kept
          QD2   LEU   31 - HN    ASP-  44   7.56 +/- 0.82   0.431% *  0.6309% (0.76   0.02   0.02) =   0.003%
          QD1   ILE   89 - HN    ASP-  44   6.76 +/- 0.71   0.804% *  0.1117% (0.14   0.02   0.02) =   0.001%
          QG2   VAL   83 - HN    ASP-  44   7.92 +/- 0.94   0.330% *  0.2548% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.524, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.32 +/- 0.17  95.978% * 36.5033% (0.53   0.02   0.02) =  96.870%  kept
          HA    THR   23 - HN    VAL   43  15.14 +/- 0.61   2.712% * 21.4145% (0.31   0.02   0.02) =   1.606%  kept
          HA    ASP-  78 - HN    VAL   43  17.21 +/- 1.00   1.310% * 42.0822% (0.61   0.02   0.02) =   1.524%  kept
    Distance limit 4.49 A violated in 20 structures by 3.77 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   4.78 +/- 0.34 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.49 A violated in 2 structures by 0.30 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.26 +/- 0.38  97.761% * 97.4132% (0.97   2.96  16.41) =  99.995%  kept
          HB2   ASP- 105 - HN    VAL   43   9.03 +/- 1.47   1.981% *  0.1898% (0.28   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    VAL   43   9.77 +/- 0.72   0.175% *  0.6123% (0.90   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    VAL   43  13.16 +/- 0.88   0.033% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.76 +/- 0.84   0.022% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  13.64 +/- 0.88   0.022% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  17.06 +/- 0.44   0.006% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 4.21, residual support = 59.3:
      O   HB    VAL   43 - HN    VAL   43   2.67 +/- 0.30  99.916% * 99.7821% (0.87  10.0   4.21  59.35) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43   9.82 +/- 0.55   0.054% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  11.40 +/- 1.00   0.024% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  16.82 +/- 0.67   0.002% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.40 +/- 0.48   0.005% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.819, support = 4.7, residual support = 31.2:
          HB    VAL   42 - HN    VAL   43   4.40 +/- 0.19  40.042% * 59.3502% (0.84   5.39  36.93) =  80.954%  kept
          HB3   LEU   73 - HN    VAL   43   5.85 +/- 1.43  16.522% * 23.3641% (0.90   1.98   9.17) =  13.149%  kept
          HG    LEU   98 - HN    VAL   43   5.60 +/- 1.20  17.580% *  7.4468% (0.49   1.16   0.02) =   4.459%  kept
          HB3   ASP-  44 - HN    VAL   43   6.60 +/- 0.38   3.579% *  7.3109% (0.25   2.22  15.23) =   0.891%  kept
          QB    LEU   98 - HN    VAL   43   5.18 +/- 0.63  20.228% *  0.7710% (0.18   0.33   0.02) =   0.531%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.34 +/- 0.93   1.280% *  0.2630% (1.00   0.02   0.02) =   0.011%
          QB    ALA   84 - HN    VAL   43  11.12 +/- 0.87   0.168% *  0.1599% (0.61   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  12.19 +/- 1.02   0.106% *  0.1705% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.09 +/- 0.98   0.067% *  0.2433% (0.92   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43  10.42 +/- 1.17   0.307% *  0.0462% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.06 +/- 0.83   0.064% *  0.2015% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.56 +/- 1.29   0.024% *  0.2202% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.77 +/- 2.15   0.011% *  0.2544% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  17.60 +/- 3.38   0.017% *  0.0989% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  19.70 +/- 1.36   0.006% *  0.0989% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.91, residual support = 59.3:
          QG1   VAL   43 - HN    VAL   43   2.38 +/- 0.40  99.222% * 98.0921% (0.90   4.91  59.35) =  99.998%  kept
          QG1   VAL   41 - HN    VAL   43   6.27 +/- 0.31   0.493% *  0.3234% (0.73   0.02   1.60) =   0.002%
          QG2   VAL   18 - HN    VAL   43   8.82 +/- 0.76   0.064% *  0.4444% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43   9.73 +/- 0.84   0.042% *  0.3404% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.12 +/- 0.92   0.050% *  0.2701% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43  10.17 +/- 0.91   0.027% *  0.4414% (0.99   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   8.46 +/- 1.09   0.102% *  0.0881% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 2.06, residual support = 2.2:
          QG2   VAL   41 - HN    VAL   43   4.32 +/- 0.75  29.738% * 80.4439% (0.73   2.20   1.60) =  90.665%  kept
          QD1   LEU   73 - HN    VAL   43   5.14 +/- 0.81  12.898% * 16.7309% (0.45   0.74   9.17) =   8.179%  kept
          QD2   LEU   98 - HN    VAL   43   4.02 +/- 1.42  54.137% *  0.5289% (0.53   0.02   0.02) =   1.085%  kept
          QD2   LEU   63 - HN    VAL   43   8.27 +/- 1.90   1.003% *  0.9854% (0.98   0.02   0.02) =   0.037%
          QD1   LEU   63 - HN    VAL   43   7.47 +/- 1.54   1.694% *  0.4507% (0.45   0.02   0.02) =   0.029%
          QD1   LEU   80 - HN    VAL   43  10.89 +/- 1.23   0.143% *  0.5289% (0.53   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   43  12.01 +/- 2.66   0.203% *  0.1761% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    VAL   43   9.73 +/- 0.72   0.184% *  0.1551% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 36.9:
          QG1   VAL   42 - HN    VAL   43   2.83 +/- 0.27  99.802% * 99.2453% (0.97   5.13  36.93) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.44 +/- 0.81   0.185% *  0.0793% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.30 +/- 0.52   0.010% *  0.4000% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  18.07 +/- 2.67   0.003% *  0.2754% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.824, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.57 +/- 0.95  58.237% * 27.6841% (0.73   0.02   0.02) =  52.186%  kept
          QD1   ILE   89 - HN    VAL   43   7.39 +/- 0.69  29.245% * 34.1913% (0.90   0.02   0.02) =  32.367%  kept
          QG2   VAL   83 - HN    VAL   43   8.80 +/- 1.57  12.518% * 38.1246% (1.00   0.02   0.02) =  15.447%  kept
    Distance limit 3.98 A violated in 20 structures by 1.94 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.936, support = 5.24, residual support = 23.6:
          HB    VAL   41 - HN    VAL   42   4.26 +/- 0.42  71.641% * 88.1485% (0.97   5.34  24.50) =  96.119%  kept
          HB2   LEU   71 - HN    VAL   42   5.22 +/- 0.77  25.557% *  9.9593% (0.22   2.62   2.24) =   3.874%  kept
          HG12  ILE  103 - HN    VAL   42   9.85 +/- 1.28   0.598% *  0.3418% (1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    VAL   42  11.02 +/- 1.01   0.291% *  0.2855% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   42  11.12 +/- 1.22   0.483% *  0.1166% (0.34   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    VAL   42  10.37 +/- 1.19   0.786% *  0.0527% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL   42  11.71 +/- 1.38   0.236% *  0.0761% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  12.12 +/- 0.63   0.150% *  0.0852% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  17.08 +/- 4.06   0.041% *  0.3066% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.76 +/- 0.66   0.182% *  0.0676% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.89 +/- 1.41   0.026% *  0.1935% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  21.76 +/- 1.33   0.004% *  0.3066% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  20.75 +/- 1.73   0.007% *  0.0599% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.34, residual support = 87.8:
      O   HB    VAL   42 - HN    VAL   42   2.42 +/- 0.22  97.835% * 99.1706% (0.98  10.0   5.34  87.78) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   5.77 +/- 0.86   0.953% *  0.0957% (0.95   1.0   0.02   1.12) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.67 +/- 0.86   0.925% *  0.0573% (0.57   1.0   0.02   0.45) =   0.001%
          HG    LEU   98 - HN    VAL   42   7.08 +/- 0.78   0.208% *  0.0137% (0.14   1.0   0.02   0.45) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.38 +/- 0.95   0.020% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.35 +/- 0.77   0.011% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.05 +/- 0.66   0.025% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.54 +/- 1.30   0.005% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  13.58 +/- 1.20   0.004% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  14.88 +/- 4.31   0.005% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.47 +/- 1.31   0.001% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  14.04 +/- 0.74   0.003% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.72 +/- 1.04   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  15.12 +/- 1.01   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.82 +/- 2.50   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 0.982, residual support = 1.41:
          QD1   LEU   40 - HN    VAL   42   4.67 +/- 0.81  84.597% * 97.4028% (0.98   0.99   1.42) =  99.700%  kept
          QD2   LEU   67 - HN    VAL   42   7.26 +/- 1.40  15.231% *  1.6153% (0.80   0.02   0.02) =   0.298%
          QG1   VAL  108 - HN    VAL   42  14.24 +/- 1.26   0.172% *  0.9819% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.45 A violated in 4 structures by 0.47 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 4.89, residual support = 29.3:
          QG1   VAL   41 - HN    VAL   42   3.99 +/- 0.26  56.753% * 50.3150% (0.73   5.34  24.50) =  61.004%  kept
          QG1   VAL   43 - HN    VAL   42   4.29 +/- 0.33  37.411% * 48.7624% (0.90   4.19  36.93) =  38.973%  kept
          QD1   ILE   19 - HN    VAL   42   7.43 +/- 1.24   3.468% *  0.1982% (0.76   0.02   0.02) =   0.015%
          QG2   VAL   18 - HN    VAL   42   7.94 +/- 0.71   1.081% *  0.2587% (1.00   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    VAL   42   9.39 +/- 1.02   0.519% *  0.1573% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   8.64 +/- 0.86   0.680% *  0.0513% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.93 +/- 0.99   0.088% *  0.2570% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.716, support = 5.81, residual support = 23.7:
          QG2   VAL   41 - HN    VAL   42   3.24 +/- 0.57  68.168% * 89.7283% (0.73   5.98  24.50) =  96.444%  kept
          QD1   LEU   73 - HN    VAL   42   4.37 +/- 1.05  24.553% *  9.1111% (0.45   0.98   1.12) =   3.527%  kept
          QD2   LEU   98 - HN    VAL   42   5.28 +/- 0.80   5.197% *  0.2173% (0.53   0.02   0.45) =   0.018%
          QD2   LEU   63 - HN    VAL   42   7.73 +/- 1.88   1.372% *  0.4048% (0.98   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    VAL   42   7.81 +/- 1.28   0.593% *  0.1852% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    VAL   42  12.47 +/- 1.13   0.027% *  0.2173% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  13.30 +/- 2.68   0.052% *  0.0723% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.26 +/- 0.77   0.037% *  0.0637% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 87.8:
          QG1   VAL   42 - HN    VAL   42   3.67 +/- 0.10  99.977% * 99.2607% (0.87   5.45  87.78) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.82 +/- 0.37   0.016% *  0.3206% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.01 +/- 3.06   0.007% *  0.4186% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.598, support = 5.25, residual support = 86.2:
          QG2   VAL   42 - HN    VAL   42   2.74 +/- 0.39  73.840% * 94.7069% (0.61   5.33  87.78) =  98.163%  kept
          QG2   VAL   70 - HN    VAL   42   3.44 +/- 0.53  26.001% *  5.0303% (0.14   1.27   1.23) =   1.836%  kept
          QG2   VAL   75 - HN    VAL   42   8.08 +/- 0.75   0.159% *  0.2628% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 74.4:
      O   HB    VAL   41 - HN    VAL   41   2.78 +/- 0.54  97.141% * 99.3523% (0.90  10.0   4.37  74.43) =  99.998%  kept
          HB2   LEU   71 - HN    VAL   41   6.42 +/- 1.10   1.901% *  0.0672% (0.61   1.0   0.02   3.02) =   0.001%
          HG12  ILE  103 - HN    VAL   41   8.01 +/- 1.12   0.499% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   8.00 +/- 1.54   0.424% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  13.17 +/- 1.03   0.017% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.08 +/- 0.62   0.006% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  18.74 +/- 4.58   0.004% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.65 +/- 1.24   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.23 +/- 0.70   0.006% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.88 +/- 1.45   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.18, support = 3.74, residual support = 19.5:
          HG    LEU   40 - HN    VAL   41   3.53 +/- 0.53  95.005% * 60.7625% (0.18   3.78  19.76) =  98.706%  kept
          HG    LEU   73 - HN    VAL   41   7.17 +/- 1.06   2.842% * 25.7535% (0.61   0.46   0.02) =   1.252%  kept
          HG2   LYS+ 102 - HN    VAL   41   9.78 +/- 1.86   1.325% *  0.8929% (0.49   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    VAL   41  10.00 +/- 1.35   0.331% *  1.7352% (0.95   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    VAL   41  10.04 +/- 1.38   0.297% *  1.6451% (0.90   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    VAL   41  14.37 +/- 1.64   0.037% *  1.4689% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.69 +/- 0.81   0.027% *  1.8303% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  15.19 +/- 4.97   0.059% *  0.6257% (0.34   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  16.64 +/- 1.23   0.012% *  1.7703% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  13.81 +/- 0.62   0.034% *  0.5662% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.60 +/- 1.81   0.011% *  1.7352% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  16.72 +/- 1.03   0.011% *  0.8929% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  18.22 +/- 2.11   0.008% *  0.3213% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.856, support = 1.47, residual support = 8.8:
          QB    ALA   34 - HN    VAL   41   4.09 +/- 0.45  80.975% * 73.8261% (0.90   1.47   9.42) =  93.412%  kept
          QG2   THR   39 - HN    VAL   41   5.52 +/- 0.55  18.230% * 23.1030% (0.28   1.48   0.02) =   6.581%  kept
          HG3   LYS+  38 - HN    VAL   41   9.45 +/- 0.94   0.696% *  0.5888% (0.53   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   41  16.20 +/- 1.74   0.028% *  0.8126% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    VAL   41  16.79 +/- 0.56   0.018% *  1.1092% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.05 +/- 0.97   0.039% *  0.2492% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  17.75 +/- 1.03   0.014% *  0.3112% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.56, residual support = 19.8:
          QD2   LEU   40 - HN    VAL   41   2.42 +/- 0.54  99.266% * 97.7753% (0.92   4.56  19.76) =  99.998%  kept
          QD2   LEU   71 - HN    VAL   41   7.49 +/- 1.21   0.299% *  0.3004% (0.65   0.02   3.02) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.18 +/- 0.85   0.133% *  0.4603% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.29 +/- 0.94   0.180% *  0.2443% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   41   8.59 +/- 1.22   0.089% *  0.4393% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  13.86 +/- 3.48   0.017% *  0.1584% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  12.59 +/- 0.85   0.012% *  0.1584% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.02 +/- 0.76   0.003% *  0.4634% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 74.4:
          QG1   VAL   41 - HN    VAL   41   2.96 +/- 0.43  93.782% * 98.2093% (1.00   4.54  74.43) =  99.981%  kept
          QG1   VAL   43 - HN    VAL   41   5.55 +/- 0.29   2.991% *  0.4091% (0.95   0.02   1.60) =   0.013%
          QD2   LEU   73 - HN    VAL   41   6.51 +/- 0.80   1.383% *  0.1939% (0.45   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    VAL   41   8.16 +/- 1.16   0.508% *  0.2623% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   41   6.98 +/- 1.12   1.042% *  0.0856% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    VAL   41   9.67 +/- 1.40   0.241% *  0.1335% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.39 +/- 0.63   0.039% *  0.3305% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.95 +/- 0.89   0.008% *  0.2797% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.72 +/- 1.34   0.007% *  0.0963% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.711, support = 4.15, residual support = 70.3:
          QG2   VAL   41 - HN    VAL   41   3.30 +/- 0.66  72.192% * 78.9819% (0.73   4.37  74.43) =  92.603%  kept
          QD2   LEU   98 - HN    VAL   41   4.22 +/- 0.70  23.116% * 19.6569% (0.53   1.50  18.27) =   7.380%  kept
          QD1   LEU   73 - HN    VAL   41   5.90 +/- 0.94   4.298% *  0.2233% (0.45   0.02   0.02) =   0.016%
          QD2   LEU   63 - HN    VAL   41   9.98 +/- 1.81   0.180% *  0.4883% (0.98   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    VAL   41  10.26 +/- 1.25   0.156% *  0.2233% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.41 +/- 1.02   0.014% *  0.2621% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  12.90 +/- 0.72   0.029% *  0.0769% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  15.47 +/- 2.77   0.016% *  0.0872% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.72, residual support = 2.72:
          QG2   VAL   70 - HN    VAL   41   4.20 +/- 0.47  99.279% * 98.4503% (0.18   2.72   2.72) =  99.989%  kept
          QG2   THR  118 - HN    VAL   41  11.55 +/- 3.11   0.721% *  1.5497% (0.38   0.02   0.02) =   0.011%
    Distance limit 4.79 A violated in 0 structures by 0.05 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.38, support = 1.45, residual support = 30.9:
          HA    VAL   70 - HN    LEU   40   4.26 +/- 0.67  89.081% * 37.9906% (0.28   1.58  36.69) =  84.240%  kept
          HB2   SER   37 - HN    LEU   40   6.40 +/- 0.26  10.572% * 59.8346% (0.92   0.75   0.12) =  15.746%  kept
          HA1   GLY   16 - HN    LEU   40  11.39 +/- 1.52   0.329% *  1.6943% (0.98   0.02   0.02) =   0.014%
          HA    GLN  116 - HN    LEU   40  20.00 +/- 3.52   0.017% *  0.4806% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 23.8:
          HB    THR   39 - HN    LEU   40   3.81 +/- 0.24  97.090% * 94.9816% (0.41   3.92  23.76) =  99.988%  kept
          HB3   SER   37 - HN    LEU   40   7.00 +/- 0.38   2.721% *  0.3275% (0.28   0.02   0.12) =   0.010%
          HA    GLN   30 - HN    LEU   40  11.97 +/- 0.86   0.124% *  1.1141% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.08 +/- 2.25   0.058% *  0.5280% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  24.54 +/- 1.79   0.002% *  0.9001% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  24.09 +/- 1.47   0.002% *  0.6668% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  21.79 +/- 0.62   0.003% *  0.3275% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  29.17 +/- 1.41   0.001% *  1.1545% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.556, support = 0.754, residual support = 11.7:
          QE    LYS+  99 - HN    LEU   40   4.46 +/- 1.68  90.058% * 51.2233% (0.57   0.74  12.23) =  95.957%  kept
          QE    LYS+  38 - HN    LEU   40   8.32 +/- 1.51   4.629% * 41.3421% (0.31   1.10   0.02) =   3.980%  kept
          QE    LYS+ 102 - HN    LEU   40  11.64 +/- 2.30   4.765% *  0.3772% (0.15   0.02   0.02) =   0.037%
          HB2   PHE   97 - HN    LEU   40  10.43 +/- 0.86   0.434% *  2.3594% (0.97   0.02   1.45) =   0.021%
          HB3   TRP   27 - HN    LEU   40  16.21 +/- 0.75   0.032% *  2.3964% (0.98   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    LEU   40  14.79 +/- 1.31   0.050% *  1.3841% (0.57   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  16.84 +/- 1.86   0.032% *  0.9175% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.75, residual support = 103.9:
      O   HB2   LEU   40 - HN    LEU   40   2.40 +/- 0.31  99.990% * 99.7221% (0.97  10.0   4.75 103.90) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.79 +/- 0.62   0.004% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  15.65 +/- 1.67   0.002% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.12 +/- 1.29   0.004% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.62 +/- 2.47   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  27.51 +/- 2.07   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.62, support = 4.95, residual support = 103.9:
      O   HB3   LEU   40 - HN    LEU   40   2.57 +/- 0.38  89.694% * 68.9667% (0.61  10.0   4.91 103.90) =  95.806%  kept
          HG    LEU   40 - HN    LEU   40   4.18 +/- 0.32   8.887% * 30.4624% (0.92   1.0   5.80 103.90) =   4.193%  kept
          HG2   LYS+ 102 - HN    LEU   40  11.52 +/- 2.58   1.197% *  0.0644% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU   40   9.62 +/- 1.49   0.064% *  0.1115% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.95 +/- 0.97   0.045% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   8.80 +/- 1.36   0.102% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  16.29 +/- 3.68   0.003% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.61 +/- 1.47   0.006% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  20.19 +/- 2.27   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  20.86 +/- 3.13   0.000% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.302, support = 3.62, residual support = 22.8:
          QG2   THR   39 - HN    LEU   40   2.69 +/- 0.50  96.989% * 39.5875% (0.28   3.70  23.76) =  96.149%  kept
          QB    ALA   34 - HN    LEU   40   5.37 +/- 0.47   2.635% * 58.2991% (0.90   1.69   0.02) =   3.848%  kept
          HG3   LYS+  38 - HN    LEU   40   7.77 +/- 0.64   0.370% *  0.4052% (0.53   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    LEU   40  18.26 +/- 1.52   0.002% *  0.5593% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  19.24 +/- 0.63   0.001% *  0.7634% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.35 +/- 0.88   0.002% *  0.1715% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  20.96 +/- 1.12   0.001% *  0.2141% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.853, support = 1.4, residual support = 32.4:
          QG1   VAL   70 - HN    LEU   40   3.97 +/- 1.20  78.493% * 63.4334% (0.84   1.50  36.69) =  87.767%  kept
          QD1   LEU   71 - HN    LEU   40   5.97 +/- 1.13  20.600% * 33.6515% (0.98   0.68   1.36) =  12.220%  kept
          HB3   LEU  104 - HN    LEU   40  10.52 +/- 0.79   0.417% *  0.9347% (0.92   0.02   0.02) =   0.007%
          QD1   LEU  123 - HN    LEU   40  14.18 +/- 4.71   0.184% *  0.9925% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LEU   40  11.74 +/- 1.11   0.188% *  0.7353% (0.73   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   40  13.12 +/- 1.22   0.117% *  0.2525% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 2 structures by 0.22 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.89, residual support = 101.5:
          QD2   LEU   40 - HN    LEU   40   4.18 +/- 0.14  90.518% * 70.5185% (0.53   4.98 103.90) =  97.708%  kept
          QD2   LEU   71 - HN    LEU   40   7.09 +/- 0.73   5.401% * 27.4663% (0.98   1.04   1.36) =   2.271%  kept
          QD1   LEU   67 - HN    LEU   40   7.97 +/- 1.16   2.953% *  0.3050% (0.57   0.02   0.02) =   0.014%
          QG2   ILE  103 - HN    LEU   40  10.91 +/- 1.26   0.632% *  0.3700% (0.69   0.02   0.02) =   0.004%
          QD1   ILE  103 - HN    LEU   40  11.47 +/- 1.13   0.285% *  0.4973% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    LEU   40  14.22 +/- 3.83   0.192% *  0.4117% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.56 +/- 0.89   0.018% *  0.4313% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.06, residual support = 36.7:
          QG2   VAL   70 - HN    LEU   40   3.50 +/- 0.70 100.000% *100.0000% (0.57   6.06  36.69) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.244, support = 1.77, residual support = 4.47:
          HA    ALA   34 - HN    THR   39   3.05 +/- 0.39  98.841% * 21.7675% (0.22   1.77   4.65) =  96.223%  kept
          HA    GLU-  36 - HN    THR   39   6.65 +/- 0.10   1.135% * 74.3942% (0.80   1.68   0.02) =   3.777%  kept
          HA    ASN   28 - HN    THR   39  13.01 +/- 0.26   0.020% *  0.4145% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  21.89 +/- 7.23   0.003% *  1.0659% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  24.92 +/- 0.70   0.000% *  0.9905% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  23.01 +/- 2.27   0.001% *  0.3768% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.96 +/- 1.57   0.000% *  0.9905% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.859, support = 2.76, residual support = 6.11:
          HA    SER   37 - HN    THR   39   4.19 +/- 0.09  82.663% * 51.9324% (0.90   2.66   2.94) =  84.773%  kept
          HA    LEU   40 - HN    THR   39   5.47 +/- 0.10  16.744% * 46.0431% (0.65   3.27  23.76) =  15.224%  kept
          HA    GLU-  15 - HN    THR   39  12.38 +/- 1.72   0.211% *  0.3632% (0.84   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    THR   39  10.92 +/- 0.21   0.264% *  0.1483% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  15.57 +/- 2.81   0.080% *  0.3632% (0.84   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  15.68 +/- 0.98   0.034% *  0.3900% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.25 +/- 0.38   0.003% *  0.4114% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  24.11 +/- 1.21   0.002% *  0.3482% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 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   2.67 +/- 0.26  60.591% * 92.7601% (0.41  10.0   3.75  38.36) =  95.746%  kept
          HB3   SER   37 - HN    THR   39   2.96 +/- 0.37  39.375% *  6.3412% (0.28   1.0   2.02   2.94) =   4.254%  kept
          HA    GLN   30 - HN    THR   39   9.69 +/- 0.67   0.027% *  0.2134% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.69 +/- 2.77   0.006% *  0.1012% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  23.99 +/- 2.09   0.000% *  0.1724% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.49 +/- 1.45   0.000% *  0.1277% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.42 +/- 0.61   0.000% *  0.0627% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.50 +/- 1.51   0.000% *  0.2212% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.692, support = 3.45, residual support = 25.2:
          QG2   THR   39 - HN    THR   39   3.32 +/- 0.60  61.304% * 20.4856% (0.49   3.63  38.36) =  53.902%  kept
          QB    ALA   34 - HN    THR   39   3.80 +/- 0.17  33.149% * 23.1258% (1.00   2.00   4.65) =  32.902%  kept
          HG3   LYS+  38 - HN    THR   39   5.16 +/- 0.41   5.508% * 55.8150% (0.76   6.30  22.82) =  13.196%  kept
          HG13  ILE   19 - HN    THR   39  12.17 +/- 1.13   0.034% *  0.0459% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  18.21 +/- 0.57   0.003% *  0.2010% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.89 +/- 1.56   0.001% *  0.2140% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.86 +/- 0.91   0.001% *  0.1128% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.61, residual support = 218.3:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.01  99.449% * 99.7734% (0.80  10.0   6.61 218.26) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   6.19 +/- 2.09   0.550% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  18.31 +/- 0.36   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  21.51 +/- 2.46   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.81 +/- 1.18   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.3:
      O   HB2   LYS+  38 - HN    LYS+  38   3.11 +/- 0.15  99.924% * 99.7624% (1.00  10.0   5.63 218.26) = 100.000%  kept
          HB3   GLU-  29 - HN    LYS+  38  12.75 +/- 0.61   0.022% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.02 +/- 0.95   0.035% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.74 +/- 0.69   0.010% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.30 +/- 1.76   0.006% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.80 +/- 0.54   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.01 +/- 1.18   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 218.3:
      O   HB3   LYS+  38 - HN    LYS+  38   3.98 +/- 0.10  94.187% * 99.4497% (0.90  10.0   5.20 218.26) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.48 +/- 0.43   5.607% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  11.38 +/- 0.43   0.180% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.83 +/- 1.06   0.013% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  21.21 +/- 3.39   0.008% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  28.43 +/- 1.16   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  28.10 +/- 1.16   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  29.25 +/- 0.72   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.39 +/- 0.78   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.77 +/- 1.43   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 218.3:
          HG2   LYS+  38 - HN    LYS+  38   3.39 +/- 0.31  99.224% * 98.4030% (0.65   5.85 218.26) =  99.998%  kept
          HG2   LYS+  99 - HN    LYS+  38   9.13 +/- 1.61   0.565% *  0.2734% (0.53   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    LYS+  38   9.74 +/- 0.32   0.201% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.41 +/- 0.93   0.002% *  0.4916% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  21.34 +/- 1.12   0.002% *  0.4916% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.47 +/- 0.52   0.005% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.40 +/- 2.85   0.000% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.43, residual support = 26.3:
      O   HB3   SER   37 - HN    SER   37   2.48 +/- 0.09  98.745% * 99.5080% (0.99  10.0   3.43  26.26) =  99.999%  kept
          HB    THR   39 - HN    SER   37   5.30 +/- 0.34   1.188% *  0.0995% (0.99   1.0   0.02   2.94) =   0.001%
          HA    GLN   30 - HN    SER   37   8.74 +/- 0.47   0.057% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.11 +/- 3.05   0.010% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  23.70 +/- 2.31   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  24.73 +/- 0.67   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  24.51 +/- 2.89   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.15 +/- 1.64   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 19.0:
          QB    GLU-  36 - HN    SER   37   3.36 +/- 0.21  99.119% * 98.3043% (1.00   3.72  19.02) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.61 +/- 2.00   0.777% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.39 +/- 0.66   0.073% *  0.4586% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.48 +/- 0.75   0.029% *  0.2573% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  23.30 +/- 1.13   0.001% *  0.5240% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  29.15 +/- 1.29   0.000% *  0.3631% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.1, residual support = 13.4:
          HG2   LYS+  38 - HN    SER   37   4.89 +/- 0.20  98.496% * 97.0551% (0.38   4.10  13.39) =  99.994%  kept
          HG2   LYS+  99 - HN    SER   37  10.66 +/- 1.53   1.419% *  0.3504% (0.28   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    SER   37  20.29 +/- 0.86   0.020% *  1.2493% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.56 +/- 0.58   0.049% *  0.4299% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  21.65 +/- 1.21   0.015% *  0.9153% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.41 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 52.0:
          HB2   ASN   35 - HN    GLU-  36   3.54 +/- 0.16  91.493% * 97.9497% (0.65   6.05  52.07) =  99.959%  kept
          QE    LYS+  33 - HN    GLU-  36   5.69 +/- 0.85   8.422% *  0.4340% (0.87   0.02   0.02) =   0.041%
          HB2   ASN   28 - HN    GLU-  36  11.57 +/- 0.43   0.079% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  19.90 +/- 2.71   0.004% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.85 +/- 1.71   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  25.87 +/- 0.90   0.001% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.8:
          HG2   GLU-  36 - HN    GLU-  36   3.53 +/- 0.48  99.990% * 99.4353% (0.97   4.85  86.75) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.31 +/- 1.28   0.009% *  0.3399% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.87 +/- 0.85   0.001% *  0.1593% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.18 +/- 2.69   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.07 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   2.09 +/- 0.06  99.966% * 99.6951% (0.90  10.0   7.31  86.75) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.79 +/- 1.99   0.019% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36   9.76 +/- 0.57   0.010% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.62 +/- 0.56   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.23 +/- 1.09   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.09 +/- 0.42   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  28.58 +/- 1.23   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 86.7:
          HG3   GLU-  36 - HN    GLU-  36   4.07 +/- 0.04  99.610% * 97.3242% (0.65   4.85  86.75) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  12.07 +/- 1.93   0.238% *  0.2779% (0.45   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLU-  36  15.00 +/- 2.26   0.080% *  0.1913% (0.31   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  19.01 +/- 2.98   0.019% *  0.5559% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.50 +/- 0.62   0.034% *  0.1546% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.86 +/- 0.62   0.010% *  0.2114% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.56 +/- 1.19   0.004% *  0.3017% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.02 +/- 1.18   0.002% *  0.3509% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  29.46 +/- 1.28   0.001% *  0.4010% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  24.16 +/- 0.94   0.002% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.58 +/- 1.87   0.000% *  0.1085% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.237, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   7.40 +/- 2.86  95.865% * 14.8773% (0.20   0.02   0.02) =  89.015%  kept
          HB2   TRP   27 - HD22  ASN   35  15.37 +/- 1.14   4.022% * 42.5614% (0.57   0.02   0.02) =  10.685%  kept
          HD2   PRO   93 - HD22  ASN   35  28.30 +/- 1.35   0.113% * 42.5614% (0.57   0.02   0.02) =   0.300%
    Distance limit 4.77 A violated in 13 structures by 2.67 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.56 +/- 0.10  99.651% * 99.5004% (0.76  10.0   3.60  55.50) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.53 +/- 1.06   0.246% *  0.0995% (0.76   1.0   0.02   1.41) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  11.73 +/- 1.02   0.092% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  17.82 +/- 3.62   0.010% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  25.28 +/- 1.71   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  26.62 +/- 1.67   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 1.57, residual support = 5.91:
          HA    GLN   32 - HD21  ASN   35   4.03 +/- 0.40  95.980% * 53.5700% (0.76   1.58   6.02) =  97.480%  kept
          HA    LYS+  33 - HD21  ASN   35   7.20 +/- 0.33   3.200% * 41.3593% (0.69   1.36   1.41) =   2.509%  kept
          HA    GLU-  29 - HD21  ASN   35   9.09 +/- 0.50   0.756% *  0.7420% (0.83   0.02   0.02) =   0.011%
          HA    VAL   70 - HD21  ASN   35  15.19 +/- 1.08   0.043% *  0.3334% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.02 +/- 0.68   0.010% *  0.7705% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  21.36 +/- 2.25   0.006% *  0.8200% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  22.65 +/- 1.31   0.003% *  0.7113% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  28.92 +/- 1.23   0.001% *  0.8573% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  29.18 +/- 2.94   0.001% *  0.3334% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.80 +/- 1.34   0.000% *  0.5029% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD21  ASN   35   2.38 +/- 0.23  99.879% * 99.3188% (0.61  10.0   3.60  55.50) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.40 +/- 1.15   0.103% *  0.1469% (0.90   1.0   0.02   1.41) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.56 +/- 0.84   0.017% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  17.51 +/- 3.25   0.001% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  24.72 +/- 1.71   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  25.76 +/- 1.57   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 4.12, residual support = 44.0:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.03  77.632% * 97.8016% (0.65  10.0   4.13  44.16) =  99.633%  kept
          HA    GLU-  29 - HN    GLN   32   3.41 +/- 0.10  20.859% *  1.3318% (0.92   1.0   0.19   0.02) =   0.365%
          HA    LYS+  33 - HN    GLN   32   5.28 +/- 0.06   1.499% *  0.1211% (0.80   1.0   0.02  11.35) =   0.002%
          HA    VAL   18 - HN    GLN   32  14.90 +/- 0.77   0.003% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  14.04 +/- 0.96   0.005% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  17.18 +/- 2.23   0.002% *  0.1482% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  20.06 +/- 0.81   0.001% *  0.1038% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  23.87 +/- 1.34   0.000% *  0.1356% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.45 +/- 2.48   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.55 +/- 1.60   0.000% *  0.0678% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 150.4:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.01  93.232% * 99.4322% (0.87  10.0   5.60 150.40) =  99.994%  kept
          HA    GLU-  29 - HN    LYS+  33   4.68 +/- 0.56   6.567% *  0.0832% (0.73   1.0   0.02   0.02) =   0.006%
          HB2   SER   37 - HN    LYS+  33   8.31 +/- 0.52   0.171% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  12.32 +/- 1.10   0.017% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.85 +/- 0.80   0.008% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  19.35 +/- 1.97   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  16.38 +/- 1.42   0.003% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.13 +/- 2.66   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  24.65 +/- 1.38   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.438, support = 3.55, residual support = 20.8:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  26.373% * 72.7220% (0.18  10.0   5.11  32.79) =  61.920%  kept
          HA    THR   26 - HN    GLU-  29   3.24 +/- 0.18  54.937% * 19.0737% (0.95   1.0   0.97   1.51) =  33.830%  kept
          HA    GLU-  25 - HN    GLU-  29   3.97 +/- 0.33  18.627% *  7.0673% (0.22   1.0   1.53   0.02) =   4.250%  kept
          HA    ALA   34 - HN    GLU-  29  11.00 +/- 0.45   0.036% *  0.1282% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.45 +/- 0.79   0.018% *  0.1707% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  14.89 +/- 2.39   0.009% *  0.2021% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.30 +/- 1.53   0.000% *  0.2852% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.49 +/- 1.10   0.000% *  0.2686% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.80 +/- 1.56   0.000% *  0.0822% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.77, residual support = 93.3:
      O   HB2   ASN   28 - HD22  ASN   28   3.45 +/- 0.09  99.296% * 99.6000% (0.95  10.0   3.77  93.29) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   9.47 +/- 2.92   0.468% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  10.95 +/- 1.28   0.127% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.42 +/- 1.16   0.090% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  14.87 +/- 0.80   0.017% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  21.72 +/- 2.08   0.002% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.15, residual support = 157.1:
      O   HG2   GLN   30 - HE21  GLN   30   3.73 +/- 0.18  99.596% * 99.8337% (0.61  10.0   4.15 157.06) =  99.999%  kept
          HB3   ASN   28 - HE21  GLN   30  10.05 +/- 1.28   0.396% *  0.1375% (0.84   1.0   0.02   8.35) =   0.001%
          QE    LYS+ 121 - HE21  GLN   30  19.79 +/- 3.73   0.008% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.14, residual support = 157.1:
      O   HG2   GLN   30 - HE22  GLN   30   2.82 +/- 0.47  99.799% * 99.8337% (0.61  10.0   4.14 157.06) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   8.75 +/- 1.00   0.198% *  0.1375% (0.84   1.0   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  19.70 +/- 3.75   0.002% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.59, residual support = 93.3:
      O   HB3   ASN   28 - HD22  ASN   28   3.09 +/- 0.27  98.580% * 99.7665% (0.90  10.0   3.59  93.29) =  99.998%  kept
          HG2   GLN   30 - HD22  ASN   28   6.72 +/- 0.90   1.418% *  0.1110% (1.00   1.0   0.02   8.35) =   0.002%
          QE    LYS+ 121 - HD22  ASN   28  22.10 +/- 3.58   0.001% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  23.80 +/- 4.31   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.31, residual support = 11.9:
          QG2   VAL   24 - HD22  ASN   28   3.36 +/- 0.37  99.990% * 97.3860% (0.97   1.31  11.93) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  17.10 +/- 0.79   0.006% *  0.5801% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  20.50 +/- 2.21   0.003% *  1.3408% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  27.89 +/- 2.20   0.000% *  0.6930% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.98, residual support = 92.2:
      O   HA    GLU-  29 - HN    GLU-  29   2.70 +/- 0.01  99.663% * 99.3483% (0.84  10.0   5.98  92.20) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.00 +/- 0.52   0.077% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.39 +/- 0.23   0.241% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  13.74 +/- 1.93   0.007% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.93 +/- 0.77   0.004% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.84 +/- 0.86   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.59 +/- 0.64   0.004% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  18.66 +/- 1.38   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  20.91 +/- 1.52   0.001% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.35 +/- 2.24   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.79, residual support = 32.8:
          HB2   ASN   28 - HN    GLU-  29   2.30 +/- 0.10  99.870% * 98.6565% (0.97   5.79  32.79) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.17 +/- 1.68   0.112% *  0.3169% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.51 +/- 0.85   0.013% *  0.2143% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.55 +/- 2.08   0.003% *  0.3262% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  16.77 +/- 0.98   0.001% *  0.1326% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  21.62 +/- 2.01   0.000% *  0.3534% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.68, support = 5.58, residual support = 30.8:
          HB3   ASN   28 - HN    GLU-  29   3.65 +/- 0.18  85.948% * 48.2295% (0.65   5.75  32.79) =  85.174%  kept
          HG2   GLN   30 - HN    GLU-  29   5.20 +/- 0.66  14.050% * 51.3575% (0.87   4.57  19.50) =  14.826%  kept
          QE    LYS+ 121 - HN    GLU-  29  24.02 +/- 3.53   0.002% *  0.2453% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  25.20 +/- 4.40   0.001% *  0.1677% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.44, residual support = 92.2:
          HG2   GLU-  29 - HN    GLU-  29   3.21 +/- 0.30  96.059% * 97.7754% (0.57   5.44  92.20) =  99.993%  kept
          QG    GLN   32 - HN    GLU-  29   6.30 +/- 1.05   3.909% *  0.1764% (0.28   0.02   0.02) =   0.007%
          HB3   ASP-  86 - HN    GLU-  29  13.46 +/- 1.92   0.024% *  0.2608% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  16.11 +/- 0.78   0.007% *  0.6288% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.93 +/- 0.79   0.001% *  0.5299% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  26.59 +/- 2.17   0.000% *  0.6288% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.592, support = 3.69, residual support = 7.37:
          HA    ASN   28 - HN    GLN   30   3.65 +/- 0.07  57.300% * 56.5000% (0.45   4.53   8.35) =  72.158%  kept
          HA    THR   26 - HN    GLN   30   4.12 +/- 0.34  30.143% * 41.4242% (0.97   1.54   4.84) =  27.830%  kept
          HA1   GLY  101 - HN    LYS+  99   5.04 +/- 0.73  11.824% *  0.0306% (0.05   0.02   1.41) =   0.008%
          HA    ALA   34 - HN    GLN   30   8.68 +/- 0.46   0.346% *  0.3603% (0.65   0.02   1.13) =   0.003%
          HA1   GLY  101 - HN    GLN   30  13.36 +/- 2.42   0.045% *  0.4652% (0.84   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLN   30  10.41 +/- 0.68   0.120% *  0.0859% (0.15   0.02  14.90) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.92 +/- 1.36   0.169% *  0.0237% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.47 +/- 1.53   0.030% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.74 +/- 1.61   0.001% *  0.2711% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.52 +/- 1.08   0.000% *  0.5268% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.89 +/- 1.55   0.001% *  0.1900% (0.34   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.33 +/- 1.50   0.004% *  0.0353% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.65 +/- 1.62   0.004% *  0.0346% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  17.69 +/- 2.54   0.006% *  0.0178% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.59 +/- 0.97   0.005% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.85 +/- 1.44   0.001% *  0.0125% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.41, residual support = 19.5:
      O   HA    GLU-  29 - HN    GLN   30   3.48 +/- 0.01  96.552% * 99.3278% (1.00  10.0   5.41  19.50) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.54 +/- 0.33   0.985% *  0.0976% (0.98   1.0   0.02   0.28) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.67 +/- 0.15   1.981% *  0.0374% (0.38   1.0   0.02   1.63) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.52 +/- 0.74   0.049% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  14.08 +/- 0.86   0.024% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  15.03 +/- 1.78   0.018% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  12.33 +/- 0.65   0.052% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.59 +/- 0.71   0.134% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  18.60 +/- 1.43   0.005% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.97 +/- 1.48   0.028% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.60 +/- 1.65   0.073% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  20.42 +/- 1.46   0.003% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.95 +/- 1.58   0.014% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  15.61 +/- 0.57   0.012% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.25 +/- 1.11   0.057% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.12 +/- 2.37   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.61 +/- 3.07   0.004% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  24.55 +/- 1.76   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.23 +/- 1.17   0.004% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.59 +/- 2.05   0.002% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  25.78 +/- 0.75   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  26.27 +/- 1.26   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.22, residual support = 157.1:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  99.842% * 99.5516% (0.92  10.0   6.22 157.06) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  11.62 +/- 0.92   0.024% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.86 +/- 0.50   0.033% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  14.26 +/- 2.13   0.008% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.07 +/- 1.18   0.057% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  17.40 +/- 1.98   0.003% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  17.96 +/- 1.04   0.002% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  13.96 +/- 1.39   0.008% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.11 +/- 1.46   0.019% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  21.81 +/- 1.53   0.001% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.01 +/- 2.02   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.26 +/- 2.40   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  17.72 +/- 0.93   0.002% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.24 +/- 1.94   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.39 +/- 1.32   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.67 +/- 1.42   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 7.03, residual support = 153.2:
          HG2   GLN   30 - HN    GLN   30   3.08 +/- 0.53  93.132% * 72.5061% (1.00   7.14 157.06) =  97.394%  kept
          HB3   ASN   28 - HN    GLN   30   5.06 +/- 0.09   6.635% * 27.2296% (0.90   2.98   8.35) =   2.606%  kept
          QE    LYS+ 121 - HN    LYS+  99  12.35 +/- 5.19   0.129% *  0.0097% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  14.86 +/- 1.79   0.029% *  0.0133% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  14.84 +/- 6.58   0.052% *  0.0050% (0.02   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.04 +/- 1.61   0.021% *  0.0120% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.98 +/- 3.59   0.002% *  0.1478% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  22.68 +/- 4.56   0.001% *  0.0764% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.68, residual support = 157.1:
      O   HB3   GLN   30 - HN    GLN   30   2.38 +/- 0.33  98.156% * 98.7410% (0.69  10.0   6.68 157.06) =  99.999%  kept
          QB    LYS+  33 - HN    GLN   30   5.48 +/- 0.69   1.229% *  0.1044% (0.73   1.0   0.02   0.28) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.26 +/- 0.65   0.449% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.74 +/- 1.14   0.075% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.51 +/- 1.40   0.036% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.20 +/- 0.85   0.002% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.68 +/- 0.68   0.030% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.06 +/- 0.49   0.002% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.68 +/- 1.18   0.001% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  16.85 +/- 1.44   0.001% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.55 +/- 1.31   0.006% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.44 +/- 1.46   0.000% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.10 +/- 1.34   0.005% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  21.61 +/- 2.15   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.63 +/- 0.89   0.000% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.11 +/- 2.51   0.004% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  24.30 +/- 1.25   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  22.77 +/- 1.13   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.18 +/- 2.35   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  25.56 +/- 1.21   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.89 +/- 1.43   0.000% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.37 +/- 1.09   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  22.15 +/- 0.83   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.63 +/- 0.72   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  24.20 +/- 1.08   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.03 +/- 1.59   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.805, support = 5.71, residual support = 50.4:
          HG    LEU   31 - HN    GLN   30   4.72 +/- 0.73  57.537% * 88.9511% (0.80   5.90  52.11) =  96.301%  kept
          QD2   LEU   73 - HN    GLN   30   6.36 +/- 1.74  19.030% * 10.2790% (0.92   0.59   4.76) =   3.681%  kept
          QG1   VAL   41 - HN    GLN   30   6.56 +/- 0.70   9.223% *  0.0938% (0.25   0.02   0.02) =   0.016%
          QG1   VAL   41 - HN    LYS+  99   6.48 +/- 1.11  11.851% *  0.0062% (0.02   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+  99  10.34 +/- 1.66   1.500% *  0.0198% (0.05   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    LYS+  99  10.13 +/- 1.05   0.620% *  0.0228% (0.06   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.27 +/- 1.65   0.013% *  0.3755% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  14.26 +/- 5.70   0.197% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.97 +/- 3.87   0.003% *  0.2131% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.06 +/- 1.18   0.026% *  0.0247% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.84:
          QG2   THR   26 - HN    GLN   30   4.39 +/- 0.27  84.813% * 94.2903% (0.73   2.00   4.84) =  99.983%  kept
          HB3   LEU   40 - HN    LYS+  99   6.73 +/- 1.34  14.345% *  0.0619% (0.05   0.02  12.23) =   0.011%
          HB2   LYS+  74 - HN    GLN   30  11.73 +/- 0.67   0.265% *  1.2283% (0.95   0.02   0.02) =   0.004%
          HB3   LEU   40 - HN    GLN   30  14.35 +/- 0.82   0.081% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  14.43 +/- 5.43   0.269% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  20.52 +/- 1.96   0.010% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.16 +/- 1.20   0.056% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  24.33 +/- 3.51   0.004% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.18 +/- 2.00   0.004% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  16.05 +/- 3.22   0.055% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.17 +/- 0.77   0.025% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.78 +/- 2.85   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.68 +/- 1.10   0.007% *  0.2891% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.29 +/- 2.03   0.037% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.79 +/- 3.04   0.015% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.32 +/- 1.05   0.010% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.376, support = 6.3, residual support = 157.1:
      O   HB2   GLN   30 - HN    GLN   30   3.41 +/- 0.31  42.271% * 87.3157% (0.41  10.0   6.32 157.06) =  84.955%  kept
          HG3   GLN   30 - HN    GLN   30   3.23 +/- 0.61  56.705% * 11.5265% (0.18   1.0   6.20 157.06) =  15.044%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.35 +/- 0.34   0.973% *  0.0048% (0.02   1.0   0.02  39.65) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.12 +/- 2.00   0.007% *  0.1117% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.54 +/- 1.73   0.005% *  0.0724% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.79 +/- 1.12   0.001% *  0.2050% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.60 +/- 1.18   0.018% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  21.51 +/- 1.40   0.001% *  0.1374% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  23.97 +/- 2.21   0.000% *  0.1202% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.36 +/- 2.27   0.000% *  0.1542% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.81 +/- 0.59   0.004% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.75 +/- 2.51   0.000% *  0.0952% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.84 +/- 2.61   0.000% *  0.0873% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.78 +/- 1.69   0.009% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  26.03 +/- 1.05   0.000% *  0.0952% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.94 +/- 0.74   0.001% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  18.34 +/- 3.81   0.002% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.27 +/- 1.71   0.001% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  24.11 +/- 1.16   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.41 +/- 1.75   0.000% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.91 +/- 2.34   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.59 +/- 2.14   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.914, support = 4.76, residual support = 19.5:
          HB3   GLU-  29 - HN    GLN   30   3.80 +/- 0.20  82.906% * 43.0781% (0.90   4.58  19.50) =  79.544%  kept
          HG3   GLU-  29 - HN    GLN   30   5.14 +/- 0.53  16.316% * 56.2856% (0.98   5.47  19.50) =  20.455%  kept
          QB    GLU-  36 - HN    GLN   30   9.13 +/- 0.32   0.429% *  0.1273% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.10 +/- 1.33   0.057% *  0.1104% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.68 +/- 0.46   0.025% *  0.1273% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.88 +/- 1.37   0.185% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  21.61 +/- 1.66   0.003% *  0.2079% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.21 +/- 1.35   0.058% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.45 +/- 1.47   0.011% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.88 +/- 1.70   0.007% *  0.0135% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  22.52 +/- 0.94   0.002% *  0.0137% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.39 +/- 1.45   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.25, residual support = 92.2:
      O   HB2   GLU-  29 - HN    GLU-  29   2.26 +/- 0.30  99.992% * 99.4303% (0.76  10.0   5.25  92.20) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  13.73 +/- 0.75   0.003% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.28 +/- 0.80   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  17.43 +/- 1.64   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  21.99 +/- 1.57   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  18.51 +/- 1.72   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  24.32 +/- 1.76   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  25.24 +/- 2.41   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.781, support = 5.5, residual support = 92.2:
      O   HB3   GLU-  29 - HN    GLU-  29   3.40 +/- 0.26  38.090% * 67.7105% (0.65  10.0   4.89  92.20) =  57.749%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.17 +/- 0.33  58.907% * 32.0323% (0.97   1.0   6.34  92.20) =  42.250%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.39 +/- 0.47   2.934% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.25 +/- 0.42   0.049% *  0.0357% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  12.56 +/- 1.25   0.016% *  0.0291% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.59 +/- 0.48   0.003% *  0.0908% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  21.86 +/- 1.69   0.001% *  0.0874% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 157.1:
      O   HG3   GLN   30 - HE21  GLN   30   4.02 +/- 0.34  33.547% * 85.8485% (0.99  10.0   2.88 157.06) =  76.155%  kept
          HB2   GLN   30 - HE21  GLN   30   3.55 +/- 0.51  66.008% * 13.6613% (0.80   1.0   3.94 157.06) =  23.845%  kept
          QB    GLU-  15 - HE21  GLN   30  10.04 +/- 1.73   0.193% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.94 +/- 1.63   0.095% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  11.60 +/- 1.50   0.130% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  16.07 +/- 1.52   0.009% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  16.93 +/- 1.97   0.007% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  21.19 +/- 3.06   0.002% *  0.0694% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  20.06 +/- 2.24   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  18.28 +/- 2.12   0.004% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.06 +/- 2.63   0.001% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.04 +/- 2.59   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.302, support = 2.08, residual support = 14.9:
          QD1   ILE   19 - HE21  GLN   30   3.83 +/- 1.63  31.534% * 69.5044% (0.41   2.13  14.90) =  53.583%  kept
          QG2   ILE   19 - HE21  GLN   30   3.02 +/- 1.06  67.949% * 27.9340% (0.18   2.01  14.90) =  46.404%  kept
          QD1   LEU   98 - HE21  GLN   30  10.95 +/- 1.18   0.357% *  1.4205% (0.90   0.02   0.02) =   0.012%
          QG2   THR   46 - HE21  GLN   30  11.56 +/- 1.54   0.136% *  0.2444% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE21  GLN   30  14.75 +/- 1.51   0.023% *  0.8967% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.275, support = 2.18, residual support = 14.9:
          QG2   ILE   19 - HE22  GLN   30   3.59 +/- 0.85  76.701% * 28.1444% (0.18   2.13  14.90) =  57.772%  kept
          QD1   ILE   19 - HE22  GLN   30   4.69 +/- 1.44  22.721% * 69.4206% (0.41   2.24  14.90) =  42.212%  kept
          QD1   LEU   98 - HE22  GLN   30  10.21 +/- 1.12   0.371% *  1.3503% (0.90   0.02   0.02) =   0.013%
          QG2   THR   46 - HE22  GLN   30  11.42 +/- 1.21   0.171% *  0.2323% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE22  GLN   30  14.34 +/- 1.47   0.036% *  0.8524% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 1 structures by 0.07 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.8:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.03  99.993% * 99.9819% (0.97  10.0   5.93  45.76) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  17.75 +/- 0.80   0.007% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.18, residual support = 44.2:
          QG    GLN   32 - HN    GLN   32   3.39 +/- 0.64  99.881% * 98.8454% (0.99   4.18  44.16) = 100.000%  kept
          HB2   GLU- 100 - HN    GLN   32  13.42 +/- 2.03   0.085% *  0.1062% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN   32  14.61 +/- 0.73   0.023% *  0.3819% (0.80   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.68 +/- 0.72   0.007% *  0.1326% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.24 +/- 0.89   0.002% *  0.3276% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  26.73 +/- 2.22   0.001% *  0.1326% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.17 +/- 1.92   0.000% *  0.0736% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 44.2:
      O   QB    GLN   32 - HN    GLN   32   2.17 +/- 0.12  99.992% * 99.6924% (0.90  10.0   4.18  44.16) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.89 +/- 0.33   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  12.80 +/- 1.78   0.004% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  16.52 +/- 1.17   0.001% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  20.91 +/- 0.99   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.717, support = 3.01, residual support = 4.98:
          HB3   GLN   30 - HN    GLN   32   5.22 +/- 0.30  37.077% * 74.1176% (0.99   2.52   1.63) =  65.495%  kept
          QB    LYS+  33 - HN    GLN   32   4.74 +/- 0.36  62.645% * 23.1090% (0.20   3.93  11.35) =  34.502%  kept
          HB3   LYS+  38 - HN    GLN   32  12.35 +/- 0.36   0.204% *  0.5325% (0.90   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    GLN   32  17.11 +/- 1.23   0.031% *  0.2025% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  17.56 +/- 0.86   0.025% *  0.1833% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.22 +/- 1.06   0.003% *  0.5885% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  26.59 +/- 1.13   0.002% *  0.4538% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  28.01 +/- 1.04   0.001% *  0.5325% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  23.70 +/- 1.81   0.005% *  0.1481% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  23.96 +/- 2.58   0.005% *  0.1322% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.8:
          HB2   LEU   31 - HN    GLN   32   2.75 +/- 0.19  99.926% * 97.3734% (0.98   5.93  45.76) = 100.000%  kept
          HG    LEU   98 - HN    GLN   32  11.55 +/- 1.37   0.026% *  0.2167% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLN   32  11.40 +/- 0.89   0.024% *  0.2032% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  13.61 +/- 0.88   0.007% *  0.3343% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.32 +/- 1.47   0.007% *  0.2433% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  14.88 +/- 0.53   0.004% *  0.1763% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.03 +/- 0.59   0.002% *  0.3004% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  21.12 +/- 1.06   0.001% *  0.3233% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  17.36 +/- 1.07   0.002% *  0.0931% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  24.53 +/- 4.49   0.000% *  0.2560% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.21 +/- 0.99   0.000% *  0.1631% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.21 +/- 2.69   0.000% *  0.3169% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.8:
          HB3   LEU   31 - HN    GLN   32   3.83 +/- 0.18  99.634% * 98.9139% (0.98   5.93  45.76) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32  10.31 +/- 0.43   0.284% *  0.1927% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.96 +/- 0.38   0.070% *  0.1790% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.34 +/- 3.18   0.002% *  0.3284% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.73 +/- 0.71   0.008% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.22 +/- 2.04   0.000% *  0.2338% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  25.85 +/- 4.34   0.001% *  0.0673% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.29, residual support = 11.4:
          QG    GLN   32 - HN    LYS+  33   4.22 +/- 0.24  99.938% * 98.6245% (0.84   4.29  11.35) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  15.85 +/- 0.77   0.040% *  0.2893% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.71 +/- 0.58   0.014% *  0.2893% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.53 +/- 0.90   0.006% *  0.5076% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  26.66 +/- 2.37   0.002% *  0.2893% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 11.4:
          QB    GLN   32 - HN    LYS+  33   2.89 +/- 0.08  99.954% * 98.5027% (1.00   4.30  11.35) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.13 +/- 1.76   0.027% *  0.3672% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.85 +/- 0.43   0.008% *  0.4545% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  14.47 +/- 2.26   0.009% *  0.0708% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  19.00 +/- 1.29   0.001% *  0.4233% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  28.01 +/- 1.02   0.000% *  0.0908% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.33 +/- 2.34   0.000% *  0.0908% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 150.4:
      O   QB    LYS+  33 - HN    LYS+  33   2.36 +/- 0.30  99.272% * 99.1015% (0.97  10.0   5.74 150.40) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.54 +/- 0.20   0.712% *  0.0385% (0.38   1.0   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.99 +/- 0.20   0.012% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  16.68 +/- 1.43   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.73 +/- 1.04   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.28 +/- 0.84   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.42 +/- 1.55   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.06 +/- 1.19   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.21 +/- 1.88   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  26.65 +/- 1.16   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.43 +/- 2.22   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.19 +/- 0.98   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  27.09 +/- 4.02   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  27.39 +/- 1.16   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.61 +/- 1.70   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 150.4:
          HG2   LYS+  33 - HN    LYS+  33   3.48 +/- 0.40  99.991% * 98.5804% (0.61   4.32 150.40) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  18.88 +/- 0.70   0.005% *  0.6940% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  19.60 +/- 1.41   0.004% *  0.7256% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.371, support = 5.37, residual support = 145.7:
          HG3   LYS+  33 - HN    LYS+  33   2.91 +/- 1.09  87.478% * 75.9153% (0.38   5.48 150.40) =  96.863%  kept
          HB2   LEU   31 - HN    LYS+  33   4.95 +/- 0.13  12.121% * 17.7268% (0.25   1.93   0.56) =   3.134%  kept
          HB3   LEU   73 - HN    LYS+  33   9.79 +/- 1.34   0.242% *  0.3885% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.08 +/- 1.57   0.067% *  0.6406% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  13.00 +/- 0.64   0.034% *  0.3311% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  16.33 +/- 0.65   0.009% *  0.6986% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  15.51 +/- 1.93   0.013% *  0.4181% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  15.32 +/- 0.85   0.016% *  0.2772% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.20 +/- 0.61   0.007% *  0.4479% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.21 +/- 1.16   0.004% *  0.5644% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  23.51 +/- 4.79   0.003% *  0.5644% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  20.44 +/- 1.07   0.002% *  0.3595% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.70 +/- 1.04   0.001% *  0.7127% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.59 +/- 1.66   0.002% *  0.3311% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.91 +/- 2.31   0.000% *  0.4777% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.79 +/- 2.68   0.000% *  0.1461% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.556, residual support = 0.555:
          QD2   LEU   31 - HN    LYS+  33   4.94 +/- 0.12  99.295% * 90.2730% (0.65   0.56   0.56) =  99.961%  kept
          QG2   VAL   83 - HN    LYS+  33  12.24 +/- 2.01   0.593% *  4.9770% (0.99   0.02   0.02) =   0.033%
          QD1   ILE   89 - HN    LYS+  33  15.39 +/- 0.39   0.112% *  4.7501% (0.95   0.02   0.02) =   0.006%
    Distance limit 4.54 A violated in 0 structures by 0.40 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 = 0.75, support = 2.0, residual support = 3.16:
          HA    LYS+  33 - HN    ASN   35   3.76 +/- 0.12  41.995% * 65.6102% (0.98   1.86   1.41) =  61.998%  kept
          HA    GLN   32 - HN    ASN   35   3.58 +/- 0.08  56.039% * 30.1268% (0.38   2.23   6.02) =  37.989%  kept
          HA    GLU-  29 - HN    ASN   35   7.84 +/- 0.34   0.526% *  0.7188% (1.00   0.02   0.02) =   0.009%
          HB2   SER   37 - HN    ASN   35   6.71 +/- 0.35   1.368% *  0.1112% (0.15   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    ASN   35  11.49 +/- 0.98   0.060% *  0.5506% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.29 +/- 0.73   0.010% *  0.7140% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  21.47 +/- 2.06   0.001% *  0.6952% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  22.76 +/- 0.77   0.001% *  0.2962% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  26.80 +/- 2.92   0.000% *  0.5506% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  26.92 +/- 1.08   0.000% *  0.4660% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.80 +/- 1.38   0.000% *  0.1604% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 52.1:
          HA    GLU-  36 - HN    ASN   35   4.92 +/- 0.02  97.068% * 98.5305% (0.97   3.97  52.07) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.87 +/- 0.31   2.902% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    ASN   35  22.13 +/- 0.71   0.012% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   35  26.25 +/- 6.31   0.009% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  28.80 +/- 1.51   0.003% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  24.99 +/- 2.18   0.007% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 11 structures by 0.91 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.314, support = 5.86, residual support = 55.1:
      O   HB2   ASN   35 - HN    ASN   35   2.51 +/- 0.52  98.158% * 70.6576% (0.31  10.0   5.88  55.50) =  99.266%  kept
          QE    LYS+  33 - HN    ASN   35   6.23 +/- 0.75   1.797% * 28.5204% (1.00   1.0   2.50   1.41) =   0.733%  kept
          HB2   ASN   28 - HN    ASN   35  10.21 +/- 0.38   0.037% *  0.2209% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  17.71 +/- 2.85   0.002% *  0.1481% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  14.40 +/- 1.24   0.005% *  0.0401% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.28 +/- 1.70   0.001% *  0.1986% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.27 +/- 0.75   0.001% *  0.0571% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  24.20 +/- 0.92   0.000% *  0.1573% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.32, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.94 +/- 0.07  98.648% * 98.0039% (0.92   3.32  18.77) =  99.996%  kept
          HG3   LYS+  38 - HN    ASN   35   7.21 +/- 0.75   0.551% *  0.3615% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   7.21 +/- 0.90   0.794% *  0.1971% (0.31   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.56 +/- 0.49   0.005% *  0.6260% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.83 +/- 1.65   0.001% *  0.4880% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.21 +/- 0.98   0.002% *  0.1264% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.32 +/- 0.84   0.001% *  0.1971% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.59, residual support = 93.3:
      O   HB2   ASN   28 - HD21  ASN   28   4.01 +/- 0.35  98.169% * 99.6076% (0.97  10.0   3.59  93.29) =  99.998%  kept
          HB2   ASP-  86 - HD21  ASN   28   9.08 +/- 2.89   1.489% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD21  ASN   28  12.14 +/- 1.49   0.163% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.85 +/- 1.08   0.111% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  14.00 +/- 0.91   0.065% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  22.47 +/- 2.24   0.004% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.42, residual support = 93.3:
      O   HB3   ASN   28 - HD21  ASN   28   3.86 +/- 0.09  98.219% * 99.7665% (0.90  10.0   3.42  93.29) =  99.998%  kept
          HG2   GLN   30 - HD21  ASN   28   7.81 +/- 0.73   1.776% *  0.1110% (1.00   1.0   0.02   8.35) =   0.002%
          QE    LYS+ 121 - HD21  ASN   28  22.98 +/- 3.47   0.003% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  24.87 +/- 4.17   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 11.9:
          QG2   VAL   24 - HD21  ASN   28   2.00 +/- 0.22  99.999% * 97.0768% (0.76   1.97  11.93) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  16.22 +/- 1.86   0.001% *  0.3217% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  21.39 +/- 2.16   0.000% *  1.1572% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  19.07 +/- 0.72   0.000% *  0.1991% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  28.19 +/- 2.24   0.000% *  1.2452% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 46.9:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.02  99.994% * 99.7755% (1.00  10.0   5.03  46.86) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  20.77 +/- 1.02   0.003% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.52 +/- 0.80   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.77 +/- 1.99   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 11.9:
          HA    VAL   24 - HN    ASN   28   3.94 +/- 0.13  99.961% * 99.4377% (0.92   5.47  11.93) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.42 +/- 0.37   0.029% *  0.1618% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.88 +/- 1.00   0.007% *  0.1618% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.94 +/- 1.35   0.004% *  0.2387% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 46.9:
          HB2   TRP   27 - HN    ASN   28   3.00 +/- 0.18  99.978% * 99.2345% (0.80   5.30  46.86) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  12.50 +/- 0.71   0.021% *  0.3908% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.43 +/- 0.82   0.001% *  0.3747% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.16, residual support = 93.3:
      O   HB2   ASN   28 - HN    ASN   28   2.71 +/- 0.16  99.884% * 99.6076% (0.97  10.0   6.16  93.29) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.88 +/- 1.52   0.063% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  11.27 +/- 2.14   0.028% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.74 +/- 0.97   0.018% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  14.65 +/- 0.88   0.005% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  21.19 +/- 2.12   0.001% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.05, residual support = 93.3:
      O   HB3   ASN   28 - HN    ASN   28   3.53 +/- 0.02  89.381% * 99.7665% (0.90  10.0   6.06  93.29) =  99.987%  kept
          HG2   GLN   30 - HN    ASN   28   5.35 +/- 0.71  10.616% *  0.1110% (1.00   1.0   0.02   8.35) =   0.013%
          QE    LYS+ 121 - HN    ASN   28  23.07 +/- 3.39   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  24.37 +/- 4.16   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.472, support = 2.34, residual support = 21.0:
          HG3   GLU-  29 - HN    ASN   28   5.43 +/- 0.40  52.176% * 56.1027% (0.20   3.49  32.79) =  60.763%  kept
          HB2   GLU-  25 - HN    ASN   28   5.51 +/- 0.21  47.324% * 39.9341% (0.90   0.55   2.79) =  39.230%  kept
          HB2   MET   96 - HN    ASN   28  12.59 +/- 0.74   0.341% *  0.5009% (0.31   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    ASN   28  16.40 +/- 1.62   0.079% *  1.2995% (0.80   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  18.03 +/- 0.71   0.038% *  1.1784% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.73 +/- 0.43   0.041% *  0.9843% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.465, support = 2.7, residual support = 11.9:
          QG2   VAL   24 - HN    ASN   28   3.79 +/- 0.22  86.588% * 55.6122% (0.45   2.83  11.93) =  89.340%  kept
          QG1   VAL   24 - HN    ASN   28   5.22 +/- 0.32  13.399% * 42.8795% (0.61   1.61  11.93) =  10.660%  kept
          QG1   VAL  107 - HN    ASN   28  18.03 +/- 0.88   0.008% *  0.8102% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.80 +/- 2.07   0.004% *  0.2709% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.61 +/- 1.99   0.001% *  0.4272% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.562, support = 2.62, residual support = 1.87:
          QD2   LEU   80 - HN    ASN   28   4.81 +/- 0.39  59.542% * 56.3473% (0.45   3.14   2.37) =  76.738%  kept
          QG1   VAL   83 - HN    ASN   28   6.28 +/- 2.63  25.298% * 37.3595% (1.00   0.93   0.21) =  21.617%  kept
          QD1   LEU   73 - HN    ASN   28   6.74 +/- 1.77  14.841% *  4.8360% (0.15   0.78   0.02) =   1.642%  kept
          QG2   ILE   89 - HN    ASN   28  12.31 +/- 0.55   0.225% *  0.4537% (0.57   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ASN   28  16.55 +/- 1.03   0.042% *  0.5505% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.62 +/- 1.57   0.041% *  0.1236% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  20.96 +/- 2.39   0.011% *  0.3294% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 26.1:
          HA    VAL   24 - HN    TRP   27   3.23 +/- 0.12  99.976% * 99.0524% (0.99   3.13  26.10) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.97 +/- 0.39   0.005% *  0.4643% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.40 +/- 1.45   0.008% *  0.0783% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.47 +/- 1.00   0.003% *  0.1120% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  21.70 +/- 1.16   0.001% *  0.1974% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.40 +/- 2.18   0.006% *  0.0138% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.58 +/- 0.86   0.000% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  24.78 +/- 1.54   0.001% *  0.0244% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.23, residual support = 98.3:
      O   HB2   TRP   27 - HN    TRP   27   2.07 +/- 0.06  99.655% * 99.8160% (0.99  10.0   5.23  98.32) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   6.07 +/- 1.22   0.311% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.27 +/- 0.72   0.004% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   9.30 +/- 1.77   0.029% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.45 +/- 0.89   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.57 +/- 1.27   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.52, residual support = 98.3:
      O   HB3   TRP   27 - HN    TRP   27   2.99 +/- 0.13  99.860% * 99.6559% (0.99  10.0   5.52  98.32) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   91  11.60 +/- 3.23   0.090% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  18.10 +/- 0.63   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.34 +/- 2.10   0.003% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.40 +/- 2.24   0.023% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  18.27 +/- 0.74   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.81 +/- 1.07   0.002% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.79 +/- 1.14   0.006% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.17 +/- 1.19   0.004% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.65 +/- 0.85   0.002% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.04 +/- 2.00   0.003% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.41 +/- 1.09   0.001% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.70 +/- 2.43   0.002% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  26.91 +/- 1.23   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.47 +/- 0.63  99.874% * 96.3537% (0.53   0.75   1.50) =  99.998%  kept
          HG2   MET   96 - HN    TRP   27  14.57 +/- 1.25   0.040% *  2.9627% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  12.75 +/- 1.34   0.075% *  0.3661% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  17.45 +/- 1.92   0.010% *  0.3175% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 1 structures by 0.07 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.41, residual support = 22.1:
          QG2   THR   26 - HN    TRP   27   2.72 +/- 0.46  99.832% * 97.5688% (0.98   4.41  22.06) = 100.000%  kept
          HB2   LYS+  74 - HN    TRP   27  10.33 +/- 0.85   0.083% *  0.3613% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  12.52 +/- 0.62   0.018% *  0.0790% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  21.12 +/- 2.13   0.001% *  0.4502% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  12.85 +/- 2.30   0.029% *  0.0110% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.10 +/- 1.94   0.007% *  0.0446% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  17.55 +/- 0.86   0.002% *  0.0893% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.26 +/- 1.99   0.016% *  0.0098% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  23.02 +/- 0.97   0.000% *  0.3448% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.53 +/- 1.47   0.003% *  0.0547% (0.12   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.89 +/- 0.71   0.001% *  0.1255% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  25.58 +/- 2.80   0.000% *  0.4502% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  20.00 +/- 2.57   0.001% *  0.0556% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  22.76 +/- 2.72   0.001% *  0.0556% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  25.88 +/- 2.84   0.000% *  0.1255% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  22.67 +/- 1.93   0.001% *  0.0426% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  26.06 +/- 2.17   0.000% *  0.0893% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  20.16 +/- 2.13   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  20.30 +/- 1.32   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.40 +/- 0.98   0.000% *  0.0110% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.77, support = 2.74, residual support = 11.9:
          QD2   LEU   80 - HN    TRP   27   3.56 +/- 0.37  88.915% * 66.5544% (0.76   2.78  11.95) =  97.648%  kept
          QD1   LEU   73 - HN    TRP   27   6.77 +/- 1.62   4.575% * 31.0405% (1.00   0.99   8.66) =   2.343%  kept
          QG1   VAL   83 - HN    TRP   27   6.46 +/- 2.10   4.540% *  0.0967% (0.15   0.02   2.70) =   0.007%
          QG2   VAL   41 - HN    TRP   27   8.71 +/- 0.76   0.535% *  0.0848% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  11.32 +/- 1.74   1.080% *  0.0120% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  12.09 +/- 1.28   0.140% *  0.0592% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    TRP   27  16.07 +/- 1.56   0.013% *  0.6255% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  13.39 +/- 1.65   0.054% *  0.0773% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  16.88 +/- 1.78   0.010% *  0.3802% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  12.96 +/- 1.74   0.054% *  0.0620% (0.10   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.42 +/- 1.00   0.008% *  0.3298% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.70 +/- 1.47   0.026% *  0.0773% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.27 +/- 2.36   0.003% *  0.5020% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  15.41 +/- 1.61   0.021% *  0.0470% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.86 +/- 1.28   0.007% *  0.0408% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.27 +/- 0.94   0.018% *  0.0105% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.945, support = 0.772, residual support = 2.99:
          QG2   VAL   75 - HN    TRP   27   5.87 +/- 1.06  89.647% * 96.7245% (0.95   0.77   2.99) =  99.932%  kept
          QG2   VAL   42 - HN    TRP   27  12.96 +/- 0.78   1.154% *  2.6400% (1.00   0.02   0.02) =   0.035%
          QG2   VAL   75 - HN    ALA   91  10.09 +/- 1.18   8.685% *  0.3093% (0.12   0.02   0.02) =   0.031%
          QG2   VAL   42 - HN    ALA   91  14.57 +/- 0.80   0.515% *  0.3262% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.41 A violated in 13 structures by 1.46 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 1.18, residual support = 6.42:
          QG1   VAL   83 - HE1   TRP   27   3.60 +/- 3.24  85.718% * 12.7688% (0.41   0.86   2.70) =  58.603%  kept
          QD2   LEU   80 - HE1   TRP   27   4.71 +/- 0.50  11.761% * 60.6085% (0.99   1.70  11.95) =  38.167%  kept
          QD1   LEU   73 - HE1   TRP   27   7.29 +/- 1.20   2.466% * 24.4527% (0.87   0.78   8.66) =   3.228%  kept
          QD1   LEU  104 - HE1   TRP   27  14.66 +/- 1.12   0.028% *  0.6252% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  15.13 +/- 1.91   0.015% *  0.6252% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  18.78 +/- 2.31   0.003% *  0.7191% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  16.19 +/- 2.13   0.009% *  0.2004% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 1 structures by 0.05 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.58, support = 1.27, residual support = 13.1:
          QD2   LEU   31 - HE1   TRP   27   4.91 +/- 0.92  58.224% * 52.0916% (0.31   1.77  18.08) =  60.245%  kept
          QG2   VAL   43 - HE1   TRP   27   5.35 +/- 0.69  41.776% * 47.9084% (0.99   0.51   5.52) =  39.755%  kept
    Distance limit 3.82 A violated in 5 structures by 0.51 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.4, residual support = 28.1:
          HB2   GLU-  25 - HN    THR   26   2.63 +/- 0.13  98.108% * 98.9220% (0.90   5.40  28.06) =  99.998%  kept
          HG3   GLU-  29 - HN    THR   26   5.24 +/- 0.41   1.886% *  0.0808% (0.20   0.02   1.51) =   0.002%
          QG    GLN   17 - HN    THR   26  16.09 +/- 1.52   0.002% *  0.3270% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.59 +/- 0.72   0.003% *  0.1260% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.98 +/- 0.75   0.001% *  0.2965% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.63 +/- 0.43   0.000% *  0.2477% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.26, residual support = 28.1:
          HB3   GLU-  25 - HN    THR   26   3.22 +/- 0.20  98.249% * 95.5027% (0.57   5.26  28.06) =  99.991%  kept
          HG3   GLN   30 - HN    THR   26   6.95 +/- 0.78   1.279% *  0.5355% (0.84   0.02   4.84) =   0.007%
          HB2   GLN   30 - HN    THR   26   8.34 +/- 0.71   0.368% *  0.3373% (0.53   0.02   4.84) =   0.001%
          HB    ILE   19 - HN    THR   26  10.55 +/- 0.60   0.091% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.96 +/- 0.88   0.005% *  0.4899% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  17.35 +/- 0.85   0.004% *  0.4899% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  21.33 +/- 1.75   0.001% *  0.3888% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  25.24 +/- 1.62   0.000% *  0.6397% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  23.27 +/- 1.55   0.001% *  0.1979% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  29.16 +/- 1.78   0.000% *  0.5355% (0.84   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.60 +/- 2.53   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  27.54 +/- 2.10   0.000% *  0.3373% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.93 +/- 1.36   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  25.29 +/- 1.02   0.000% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 35.3:
          QG2   THR   26 - HN    THR   26   3.25 +/- 0.24  99.937% * 98.0840% (0.95   4.46  35.33) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  12.01 +/- 0.96   0.057% *  0.4611% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  22.72 +/- 2.16   0.001% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.66 +/- 0.87   0.002% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.73 +/- 0.88   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  28.00 +/- 2.65   0.000% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.81 +/- 1.60   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  26.57 +/- 2.69   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.592, support = 0.0199, residual support = 0.0199:
          HB3   LEU   80 - HN    THR   26   8.47 +/- 0.69  60.727% *  8.4695% (0.53   0.02   0.02) =  55.251%  kept
          HB2   LEU   31 - HN    THR   26   9.81 +/- 0.28  26.118% * 11.0578% (0.69   0.02   0.02) =  31.024%  kept
          QB    ALA   88 - HN    THR   26  16.48 +/- 2.25   3.992% * 13.9639% (0.87   0.02   0.02) =   5.988%  kept
          QG2   THR   77 - HN    THR   26  12.31 +/- 0.76   6.846% *  7.8357% (0.49   0.02   0.02) =   5.762%  kept
          HB3   ASP-  44 - HN    THR   26  16.06 +/- 0.84   1.416% *  4.9686% (0.31   0.02   0.02) =   0.756%  kept
          HG2   LYS+  38 - HN    THR   26  20.25 +/- 0.59   0.336% * 16.0623% (1.00   0.02   0.02) =   0.579%  kept
          HG2   LYS+  99 - HN    THR   26  21.77 +/- 1.27   0.244% * 15.5357% (0.97   0.02   0.02) =   0.408%
          HB2   LEU   63 - HN    THR   26  22.11 +/- 1.05   0.209% *  6.6181% (0.41   0.02   0.02) =   0.149%
          HG2   LYS+ 111 - HN    THR   26  29.13 +/- 2.50   0.045% * 12.3026% (0.76   0.02   0.02) =   0.060%
          QB    ALA  124 - HN    THR   26  27.70 +/- 3.32   0.067% *  3.1858% (0.20   0.02   0.02) =   0.023%
    Distance limit 4.47 A violated in 20 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.7:
      O   HA    VAL   24 - HN    GLU-  25   3.61 +/- 0.02  99.994% * 99.8455% (0.92  10.0   5.65  34.70) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.02 +/- 0.36   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  22.01 +/- 1.10   0.002% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  25.67 +/- 1.15   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.02, residual support = 127.0:
      O   HB2   GLU-  25 - HN    GLU-  25   2.74 +/- 0.45  99.135% * 99.5608% (0.61  10.0   6.02 126.99) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.68 +/- 0.57   0.622% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.19 +/- 0.55   0.238% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  18.33 +/- 1.45   0.002% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  19.37 +/- 2.24   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.23 +/- 0.43   0.000% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.96 +/- 0.74   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.88, residual support = 127.0:
      O   HB3   GLU-  25 - HN    GLU-  25   2.68 +/- 0.72  99.772% * 98.7761% (0.57  10.0   5.88 126.99) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.33 +/- 0.71   0.133% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25  10.38 +/- 0.64   0.069% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.85 +/- 0.61   0.020% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  19.32 +/- 0.88   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.77 +/- 0.78   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  22.38 +/- 1.74   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  27.48 +/- 1.47   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.18 +/- 1.77   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.42 +/- 1.74   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.20 +/- 2.40   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  28.72 +/- 1.95   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  25.26 +/- 1.48   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  27.40 +/- 0.99   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.26, residual support = 6.27:
          QG2   THR   23 - HN    GLU-  25   4.28 +/- 0.27  99.416% * 98.6138% (0.73   3.26   6.27) =  99.997%  kept
          QG2   THR   77 - HN    GLU-  25  11.91 +/- 0.79   0.250% *  0.6045% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    GLU-  25  12.56 +/- 0.23   0.164% *  0.3124% (0.38   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLU-  25  15.56 +/- 1.82   0.159% *  0.2840% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  20.17 +/- 1.58   0.011% *  0.1853% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.58, residual support = 34.7:
          QG2   VAL   24 - HN    GLU-  25   3.42 +/- 0.27  99.996% * 99.2406% (0.97   4.58  34.70) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  20.37 +/- 1.12   0.003% *  0.1685% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  23.69 +/- 2.01   0.001% *  0.3896% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.39 +/- 2.55   0.000% *  0.2013% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.29, residual support = 127.0:
          HG2   GLU-  25 - HN    GLU-  25   3.59 +/- 0.42  99.977% * 99.4330% (0.97   5.29 126.99) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  15.59 +/- 0.62   0.018% *  0.1202% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.77 +/- 0.53   0.004% *  0.1896% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  31.05 +/- 1.95   0.000% *  0.1601% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  31.91 +/- 2.31   0.000% *  0.0971% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.1:
      O   HA    VAL   24 - HN    VAL   24   2.80 +/- 0.02  99.999% * 99.8455% (0.92  10.0   4.34  65.14) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  20.82 +/- 1.15   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  21.12 +/- 0.43   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  25.46 +/- 1.13   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.1:
      O   HB    VAL   24 - HN    VAL   24   2.46 +/- 0.20  98.373% * 99.7135% (0.95  10.0   4.68  65.14) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   5.70 +/- 1.15   1.618% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.82 +/- 0.30   0.009% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  22.89 +/- 1.49   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  27.35 +/- 1.00   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.44, residual support = 25.3:
          QG2   THR   23 - HN    VAL   24   3.65 +/- 0.17  99.480% * 99.1634% (0.73   5.44  25.32) =  99.998%  kept
          QG2   THR   77 - HN    VAL   24   9.92 +/- 0.82   0.316% *  0.3648% (0.73   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    VAL   24  14.24 +/- 1.88   0.153% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   24  13.30 +/- 0.26   0.044% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  18.55 +/- 1.60   0.007% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 4.1, residual support = 65.1:
          QG1   VAL   24 - HN    VAL   24   2.05 +/- 0.28  95.805% * 77.1697% (0.90   4.09  65.14) =  98.773%  kept
          QG2   VAL   24 - HN    VAL   24   3.67 +/- 0.06   4.193% * 21.8987% (0.20   5.26  65.14) =   1.227%  kept
          HB3   LEU   31 - HN    VAL   24  13.05 +/- 0.23   0.002% *  0.0937% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  19.17 +/- 1.26   0.000% *  0.4173% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  28.73 +/- 2.17   0.000% *  0.3372% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  25.38 +/- 2.05   0.000% *  0.0833% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 3.11, residual support = 11.0:
          QD2   LEU   80 - HN    VAL   24   2.87 +/- 0.30  95.336% * 96.5717% (0.76   3.11  10.96) =  99.993%  kept
          QG1   VAL   83 - HN    VAL   24   5.52 +/- 1.59   4.574% *  0.1254% (0.15   0.02   0.65) =   0.006%
          QD1   LEU   73 - HN    VAL   24  10.04 +/- 1.34   0.062% *  0.8109% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  11.89 +/- 0.76   0.023% *  0.1100% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  18.09 +/- 1.63   0.002% *  0.8109% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  19.22 +/- 1.72   0.001% *  0.4929% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  21.56 +/- 2.16   0.001% *  0.6507% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  20.13 +/- 1.06   0.001% *  0.4276% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.09, residual support = 21.4:
          HB2   HIS   22 - HN    THR   23   4.14 +/- 0.57  99.983% * 99.6165% (0.99   5.09  21.39) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  21.36 +/- 0.63   0.007% *  0.3300% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  20.73 +/- 2.26   0.010% *  0.0535% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.68, residual support = 21.4:
          HB3   HIS   22 - HN    THR   23   4.13 +/- 0.19  99.974% * 99.7204% (0.76   5.68  21.39) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  21.83 +/- 3.18   0.009% *  0.1887% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  17.74 +/- 0.88   0.017% *  0.0909% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 1.86, residual support = 4.02:
          HB3   CYS   21 - HN    THR   23   3.45 +/- 0.49 100.000% *100.0000% (1.00   1.86   4.02) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 2.09, residual support = 14.1:
          QG2   THR   26 - HN    THR   23   2.91 +/- 0.67  99.219% * 94.8893% (0.73   2.09  14.12) =  99.990%  kept
          HB2   LYS+  74 - HN    THR   23   8.76 +/- 0.93   0.773% *  1.1846% (0.95   0.02   0.02) =   0.010%
          HG2   LYS+  65 - HN    THR   23  20.13 +/- 2.12   0.003% *  0.8101% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  19.42 +/- 0.95   0.002% *  0.9093% (0.73   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.84 +/- 1.60   0.001% *  0.6095% (0.49   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  23.51 +/- 2.70   0.001% *  0.6095% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  26.17 +/- 2.53   0.000% *  0.7090% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.86 +/- 0.83   0.001% *  0.2788% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.76, residual support = 19.2:
          QG2   THR   23 - HN    THR   23   3.30 +/- 0.24  98.989% * 97.7041% (0.41   4.76  19.23) =  99.993%  kept
          QB    ALA   88 - HN    THR   23  15.14 +/- 2.75   0.767% *  0.6465% (0.65   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    THR   23   9.61 +/- 0.85   0.197% *  0.9644% (0.97   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    THR   23  12.19 +/- 0.46   0.044% *  0.1542% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.91 +/- 0.68   0.001% *  0.3084% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.18 +/- 1.21   0.001% *  0.2225% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 2.37, residual support = 8.52:
          QD2   LEU   80 - HN    THR   23   3.26 +/- 0.46  58.762% * 44.2061% (0.20   3.03   8.52) =  55.580%  kept
          QD1   LEU   80 - HN    THR   23   3.56 +/- 0.69  40.836% * 50.8309% (0.45   1.54   8.52) =  44.413%  kept
          QD1   LEU   73 - HN    THR   23   8.29 +/- 1.16   0.323% *  0.7753% (0.53   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    THR   23  10.63 +/- 0.82   0.048% *  0.9533% (0.65   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    THR   23  12.35 +/- 1.29   0.021% *  0.6607% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    THR   23  16.88 +/- 1.63   0.003% *  1.4704% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    THR   23  15.89 +/- 1.50   0.005% *  0.7753% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  19.63 +/- 2.28   0.002% *  0.3281% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.5:
      O   HB3   HIS   22 - HN    HIS   22   2.90 +/- 0.49  99.998% * 99.9260% (0.98  10.0   3.46  34.50) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  20.32 +/- 3.25   0.002% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.56, residual support = 161.3:
          HG3   ARG+  54 - HN    ARG+  54   3.80 +/- 0.45  66.068% * 95.0454% (0.26   6.58 161.90) =  99.609%  kept
          QB    ALA   57 - HN    ARG+  54   4.71 +/- 1.11  30.292% *  0.7939% (0.72   0.02   0.02) =   0.381%
          QB    ALA   57 - HN    ASP-  62   6.41 +/- 0.39   3.229% *  0.1486% (0.14   0.02   0.02) =   0.008%
          HD2   LYS+  74 - HN    ARG+  54  12.11 +/- 1.76   0.078% *  0.4658% (0.42   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ARG+  54  14.94 +/- 2.70   0.043% *  0.8319% (0.76   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ASP-  62  10.54 +/- 0.81   0.157% *  0.0871% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.56 +/- 2.15   0.045% *  0.1905% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  21.72 +/- 3.17   0.005% *  1.0183% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.25 +/- 2.08   0.024% *  0.1557% (0.14   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  12.91 +/- 1.31   0.053% *  0.0540% (0.05   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  25.00 +/- 2.22   0.001% *  1.0183% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.72 +/- 1.68   0.004% *  0.1905% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.4, residual support = 28.7:
      O   HB2   CYS   21 - HN    CYS   21   2.71 +/- 0.33  99.920% * 99.8975% (0.90  10.0   3.40  28.66) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  10.78 +/- 0.54   0.032% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.54 +/- 1.23   0.041% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  21.47 +/- 2.43   0.001% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.09 +/- 1.31   0.005% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.04 +/- 1.97   0.001% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.31, residual support = 28.7:
      O   HB3   CYS   21 - HN    CYS   21   3.63 +/- 0.12  99.924% * 99.8170% (0.53  10.0   3.31  28.66) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.34 +/- 0.95   0.030% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  14.67 +/- 3.11   0.044% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.32 +/- 1.89   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.3, support = 0.0194, residual support = 0.165:
          HG    LEU  123 - HN    ILE  119   6.55 +/- 0.52  53.704% *  3.5886% (0.32   0.02   0.23) =  68.485%  kept
          HB3   ASP- 105 - HN    ILE  119   9.28 +/- 4.17  25.110% *  1.1101% (0.10   0.02   0.02) =   9.905%  kept
          QB    LYS+  66 - HN    ILE  119   9.19 +/- 1.81  11.147% *  2.1815% (0.19   0.02   0.02) =   8.641%  kept
          HB    VAL   41 - HN    CYS   21  11.95 +/- 1.17   1.597% *  9.1141% (0.80   0.02   0.02) =   5.173%  kept
          QB    LYS+  33 - HN    CYS   21  11.38 +/- 0.61   1.945% *  2.5341% (0.22   0.02   0.02) =   1.752%  kept
          HG2   PRO   93 - HN    ILE  119  12.05 +/- 1.46   2.194% *  1.2268% (0.11   0.02   0.02) =   0.957%  kept
          HG12  ILE  103 - HN    CYS   21  17.04 +/- 1.92   0.197% * 10.5070% (0.92   0.02   0.02) =   0.734%  kept
          HG2   ARG+  54 - HN    CYS   21  16.94 +/- 2.39   0.441% *  3.8825% (0.34   0.02   0.02) =   0.608%  kept
          QB    LYS+  66 - HN    CYS   21  16.51 +/- 0.64   0.207% *  6.9036% (0.61   0.02   0.02) =   0.508%  kept
          HB3   PRO   52 - HN    CYS   21  19.34 +/- 1.90   0.112% * 11.3569% (1.00   0.02   0.02) =   0.450%
          HG12  ILE  103 - HN    ILE  119  16.34 +/- 3.69   0.356% *  3.3201% (0.29   0.02   0.02) =   0.420%
          HB3   PRO   52 - HN    ILE  119  16.38 +/- 1.60   0.299% *  3.5886% (0.32   0.02   0.02) =   0.382%
          HG3   PRO   68 - HN    ILE  119  15.10 +/- 3.31   0.631% *  1.4786% (0.13   0.02   0.02) =   0.332%
          HG2   PRO   93 - HN    CYS   21  16.89 +/- 1.52   0.225% *  3.8825% (0.34   0.02   0.02) =   0.310%
          HB3   GLN   90 - HN    CYS   21  17.68 +/- 3.01   0.350% *  1.9934% (0.18   0.02   0.02) =   0.248%
          HB    VAL   41 - HN    ILE  119  17.78 +/- 3.09   0.174% *  2.8799% (0.25   0.02   0.02) =   0.178%
          HB    ILE  103 - HN    ILE  119  16.57 +/- 3.52   0.310% *  1.3499% (0.12   0.02   0.02) =   0.149%
          HB    ILE  103 - HN    CYS   21  19.17 +/- 1.33   0.088% *  4.2718% (0.38   0.02   0.02) =   0.134%
          HG    LEU  123 - HN    CYS   21  23.34 +/- 2.70   0.032% * 11.3569% (1.00   0.02   0.02) =   0.129%
          HB3   ASP- 105 - HN    CYS   21  18.91 +/- 1.20   0.102% *  3.5131% (0.31   0.02   0.02) =   0.127%
          HG2   ARG+  54 - HN    ILE  119  17.08 +/- 1.76   0.288% *  1.2268% (0.11   0.02   0.02) =   0.126%
          HG3   PRO   68 - HN    CYS   21  19.71 +/- 0.73   0.069% *  4.6793% (0.41   0.02   0.02) =   0.114%
          QB    LYS+ 102 - HN    CYS   21  18.86 +/- 1.33   0.092% *  1.9934% (0.18   0.02   0.02) =   0.065%
          QB    LYS+ 102 - HN    ILE  119  17.10 +/- 3.19   0.228% *  0.6299% (0.06   0.02   0.02) =   0.051%
          HB3   GLN   90 - HN    ILE  119  20.28 +/- 1.60   0.067% *  0.6299% (0.06   0.02   0.02) =   0.015%
          QB    LYS+  33 - HN    ILE  119  22.32 +/- 2.46   0.036% *  0.8007% (0.07   0.02   0.02) =   0.010%
    Distance limit 3.54 A violated in 20 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.53, support = 5.71, residual support = 150.3:
          HG13  ILE  119 - HN    ILE  119   3.23 +/- 0.47  59.807% * 42.0213% (0.31   7.29 260.92) =  55.078%  kept
          QB    ALA   20 - HN    CYS   21   3.56 +/- 0.02  36.352% * 56.3839% (0.80   3.78  14.65) =  44.919%  kept
          QG2   VAL  107 - HN    ILE  119   6.06 +/- 1.51   2.923% *  0.0262% (0.07   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    ILE  119   7.25 +/- 0.58   0.568% *  0.0484% (0.13   0.02   4.40) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.96 +/- 0.56   0.152% *  0.1149% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   9.25 +/- 1.24   0.167% *  0.0484% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.92 +/- 0.46   0.016% *  0.3592% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.40 +/- 2.15   0.003% *  0.3649% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  14.77 +/- 0.73   0.007% *  0.0829% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.06 +/- 1.02   0.002% *  0.0942% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.49 +/- 2.10   0.001% *  0.1530% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.66 +/- 2.90   0.001% *  0.1135% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.08 +/- 2.62   0.001% *  0.1530% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.75 +/- 1.50   0.001% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.515, support = 1.34, residual support = 2.29:
          QD2   LEU   73 - HN    CYS   21   5.75 +/- 0.73  33.037% * 70.1067% (0.57   1.47   2.74) =  82.837%  kept
          QD1   ILE   19 - HN    CYS   21   6.08 +/- 0.61  24.071% * 16.2365% (0.22   0.86   0.15) =  13.978%  kept
          QG2   VAL   18 - HN    CYS   21   6.90 +/- 0.83  11.767% *  5.3175% (0.65   0.10   0.02) =   2.238%  kept
          QG1   VAL   43 - HN    CYS   21   7.64 +/- 1.19   9.280% *  1.4645% (0.87   0.02   0.02) =   0.486%
          QG2   THR   46 - HN    CYS   21   7.09 +/- 0.83   8.991% *  0.8883% (0.53   0.02   0.02) =   0.286%
          QG1   VAL   41 - HN    CYS   21   9.86 +/- 0.85   1.213% *  1.6549% (0.98   0.02   0.02) =   0.072%
          QD1   ILE   56 - HN    ILE  119   7.33 +/- 1.16   9.768% *  0.1647% (0.10   0.02   0.02) =   0.058%
          HG    LEU   31 - HN    CYS   21  10.72 +/- 0.56   0.665% *  1.2260% (0.73   0.02   0.02) =   0.029%
          QG2   VAL   18 - HN    ILE  119  12.45 +/- 1.02   0.283% *  0.3451% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   43 - HN    ILE  119  13.62 +/- 2.02   0.197% *  0.4628% (0.27   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    CYS   21  14.01 +/- 1.70   0.170% *  0.5211% (0.31   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    ILE  119  14.71 +/- 2.33   0.264% *  0.3020% (0.18   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ILE  119  15.78 +/- 2.51   0.092% *  0.5229% (0.31   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE  119  14.38 +/- 1.67   0.145% *  0.2807% (0.17   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  119  17.37 +/- 2.11   0.044% *  0.1188% (0.07   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  21.69 +/- 2.84   0.013% *  0.3874% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 1 structures by 0.53 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.267, support = 2.97, residual support = 5.16:
          QD2   LEU  115 - HN    ILE  119   4.10 +/- 0.64  52.488% *  7.5057% (0.07   3.82   9.73) =  41.376%  kept
          QD1   LEU   73 - HN    CYS   21   6.39 +/- 0.72   4.026% * 57.7227% (0.53   3.92   2.74) =  24.405%  kept
          QD1   LEU   80 - HN    CYS   21   5.86 +/- 1.04   8.997% * 17.5099% (0.45   1.40   1.68) =  16.545%  kept
          QD2   LEU   80 - HN    CYS   21   5.64 +/- 0.58   9.475% *  8.3006% (0.20   1.50   1.68) =   8.260%  kept
          QD1   LEU   63 - HN    ILE  119   5.77 +/- 1.84  15.125% *  4.4661% (0.17   0.96   0.46) =   7.094%  kept
          QD2   LEU   63 - HN    ILE  119   6.41 +/- 1.81   8.672% *  2.5052% (0.32   0.28   0.46) =   2.282%  kept
          QG2   VAL   41 - HN    CYS   21   8.86 +/- 0.92   0.608% *  0.3618% (0.65   0.02   0.02) =   0.023%
          QD2   LEU   98 - HN    CYS   21  10.93 +/- 1.29   0.179% *  0.2507% (0.45   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    CYS   21  13.05 +/- 1.58   0.067% *  0.5580% (1.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    CYS   21  12.15 +/- 1.46   0.103% *  0.2942% (0.53   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    ILE  119  15.30 +/- 2.96   0.146% *  0.0930% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  14.14 +/- 2.71   0.052% *  0.0792% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  14.74 +/- 2.31   0.032% *  0.1143% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  16.18 +/- 2.12   0.020% *  0.1245% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.72 +/- 1.88   0.005% *  0.0792% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.32 +/- 1.19   0.005% *  0.0350% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.285, support = 5.69, residual support = 40.0:
          HN    THR  118 - HN    ILE  119   2.64 +/- 0.14  96.345% * 52.7213% (0.28   5.78  40.76) =  97.082%  kept
          HN    GLN  116 - HN    ILE  119   4.65 +/- 0.18   3.363% * 45.3608% (0.53   2.63  14.63) =   2.916%  kept
          HN    GLU- 114 - HN    ILE  119   7.63 +/- 0.27   0.181% *  0.6209% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   8.99 +/- 1.01   0.096% *  0.0888% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  16.53 +/- 3.35   0.003% *  0.6209% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.98 +/- 0.52   0.007% *  0.1962% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.47 +/- 0.97   0.004% *  0.0281% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  22.71 +/- 1.06   0.000% *  0.1962% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  21.66 +/- 1.42   0.000% *  0.1091% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.22 +/- 1.31   0.000% *  0.0577% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.688, support = 2.38, residual support = 18.7:
          HN    HIS  122 - HN    ILE  119   5.05 +/- 0.12  33.163% * 71.3542% (1.00   1.98  17.71) =  60.095%  kept
          QE    PHE   59 - HN    ILE  119   4.43 +/- 1.05  64.901% * 24.1245% (0.22   3.00  20.26) =  39.763%  kept
          HN    PHE   59 - HN    ILE  119   9.01 +/- 1.22   1.759% *  3.1650% (0.57   0.15  20.26) =   0.141%
          HH2   TRP   87 - HN    CYS   21  13.77 +/- 1.13   0.087% *  0.2278% (0.32   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    ILE  119  20.92 +/- 3.11   0.011% *  0.7208% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  16.85 +/- 1.08   0.026% *  0.1292% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  16.55 +/- 3.02   0.045% *  0.0508% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.60 +/- 2.46   0.007% *  0.2278% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 14.6:
          HN    ALA   20 - HN    CYS   21   4.17 +/- 0.05  99.993% * 99.7883% (0.95   2.98  14.65) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.07 +/- 1.48   0.007% *  0.2117% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 5.59, residual support = 55.8:
        T HN    ALA  120 - HN    ILE  119   2.60 +/- 0.07  98.480% * 99.4047% (1.00 10.00   5.59  55.80) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   6.09 +/- 1.17   1.461% *  0.0796% (0.80  1.00   0.02  14.63) =   0.001%
          HN    ALA   57 - HN    ILE  119  11.44 +/- 1.30   0.018% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.57 +/- 0.35   0.023% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.13 +/- 1.73   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.29 +/- 1.59   0.013% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  16.08 +/- 1.40   0.002% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  20.61 +/- 3.25   0.001% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  18.41 +/- 2.87   0.002% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.73 +/- 2.08   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.25 +/- 2.43   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.20 +/- 3.46   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.3, residual support = 40.8:
          HB    THR  118 - HN    ILE  119   2.92 +/- 0.30  99.933% * 98.0487% (0.98   5.30  40.76) = 100.000%  kept
          HA    ILE   89 - HN    CYS   21  14.81 +/- 2.30   0.036% *  0.1069% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  17.82 +/- 1.55   0.003% *  0.3383% (0.90   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  20.35 +/- 3.52   0.002% *  0.2883% (0.76   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  15.36 +/- 1.07   0.006% *  0.0911% (0.24   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.21 +/- 0.69   0.004% *  0.1069% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.36 +/- 0.74   0.009% *  0.0490% (0.13   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  16.84 +/- 1.08   0.004% *  0.0866% (0.23   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  23.68 +/- 3.28   0.001% *  0.3383% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.58 +/- 1.51   0.001% *  0.1168% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.70 +/- 1.83   0.001% *  0.2739% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  27.25 +/- 1.68   0.000% *  0.1551% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.9, residual support = 260.9:
          HG12  ILE  119 - HN    ILE  119   2.21 +/- 0.25  99.669% * 97.7477% (0.90   7.90 260.92) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   8.60 +/- 3.90   0.187% *  0.0373% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   7.85 +/- 0.68   0.072% *  0.0782% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.79 +/- 0.63   0.036% *  0.0841% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.00 +/- 1.50   0.003% *  0.2473% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21  10.08 +/- 0.63   0.015% *  0.0458% (0.17   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.26 +/- 2.31   0.002% *  0.2661% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.78 +/- 1.12   0.004% *  0.0804% (0.29   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  15.11 +/- 2.61   0.003% *  0.0864% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.56 +/- 1.18   0.004% *  0.0698% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  17.81 +/- 1.72   0.000% *  0.2733% (0.99   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.67 +/- 2.35   0.000% *  0.2208% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.96 +/- 1.85   0.001% *  0.1134% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.63 +/- 1.76   0.000% *  0.0782% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  22.51 +/- 1.71   0.000% *  0.2546% (0.92   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  17.00 +/- 2.00   0.001% *  0.0358% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.19 +/- 2.07   0.000% *  0.1451% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  18.86 +/- 1.37   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  21.58 +/- 1.60   0.000% *  0.0297% (0.11   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  28.87 +/- 1.73   0.000% *  0.0941% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.55, residual support = 260.9:
      O   HB    ILE  119 - HN    ILE  119   2.43 +/- 0.15  99.555% * 99.0354% (0.92  10.0   7.55 260.92) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   7.39 +/- 0.94   0.207% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.86 +/- 1.76   0.052% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.86 +/- 0.46   0.094% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.96 +/- 1.30   0.028% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  11.46 +/- 1.75   0.021% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.60 +/- 1.99   0.003% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.53 +/- 0.64   0.017% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.25 +/- 2.84   0.002% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.24 +/- 0.47   0.011% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.08 +/- 0.50   0.004% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  18.30 +/- 2.19   0.001% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  15.00 +/- 1.61   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.23 +/- 3.94   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.47 +/- 2.34   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.32 +/- 1.61   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.50 +/- 2.21   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.96 +/- 2.48   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  18.62 +/- 1.65   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  19.68 +/- 1.66   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.49 +/- 1.98   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.99 +/- 1.44   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  22.98 +/- 1.55   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  29.74 +/- 1.73   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.93, support = 6.99, residual support = 241.7:
          HG13  ILE  119 - HN    ILE  119   3.23 +/- 0.47  51.095% * 84.7491% (0.99   7.29 260.92) =  92.346%  kept
          QB    ALA   20 - HN    CYS   21   3.56 +/- 0.02  29.431% *  8.5055% (0.19   3.78  14.65) =   5.338%  kept
          QG1   VAL  107 - HN    ILE  119   4.80 +/- 2.02  18.739% *  5.7924% (0.20   2.50   0.02) =   2.315%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.25 +/- 0.58   0.447% *  0.0585% (0.25   0.02   4.40) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.25 +/- 1.24   0.140% *  0.1423% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   8.96 +/- 0.56   0.122% *  0.0361% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.92 +/- 0.46   0.013% *  0.0740% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.06 +/- 1.02   0.002% *  0.1423% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.40 +/- 2.15   0.002% *  0.0735% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.66 +/- 2.90   0.001% *  0.2341% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  14.88 +/- 1.05   0.006% *  0.0147% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.75 +/- 1.50   0.000% *  0.1142% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.49 +/- 2.10   0.001% *  0.0450% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.08 +/- 2.62   0.000% *  0.0185% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.335, support = 0.0198, residual support = 6.64:
          HG3   LYS+  74 - HN    CYS   21   4.99 +/- 0.62  70.405% *  3.7747% (0.23   0.02   9.85) =  62.452%  kept
          HB    VAL   75 - HN    CYS   21   6.36 +/- 0.59  20.633% *  3.9726% (0.24   0.02   2.50) =  19.262%  kept
          QD1   LEU   67 - HN    ILE  119  10.69 +/- 2.62   2.609% * 15.1858% (0.92   0.02   0.02) =   9.310%  kept
          QD2   LEU   40 - HN    ILE  119  11.53 +/- 3.17   1.037% * 15.5616% (0.95   0.02   0.02) =   3.792%  kept
          QG2   ILE  103 - HN    ILE  119  11.97 +/- 2.97   0.762% * 13.7407% (0.84   0.02   0.02) =   2.460%  kept
          QD2   LEU   71 - HN    CYS   21   9.34 +/- 1.15   2.770% *  1.2962% (0.08   0.02   0.02) =   0.844%  kept
          QD1   LEU   67 - HN    CYS   21  12.23 +/- 2.01   0.716% *  4.7985% (0.29   0.02   0.02) =   0.808%  kept
          QD2   LEU   40 - HN    CYS   21  12.72 +/- 0.76   0.282% *  4.9173% (0.30   0.02   0.02) =   0.326%
          QD1   ILE  103 - HN    ILE  119  13.95 +/- 3.05   0.295% *  2.8810% (0.18   0.02   0.02) =   0.200%
          QD2   LEU   71 - HN    ILE  119  15.78 +/- 2.76   0.165% *  4.1020% (0.25   0.02   0.02) =   0.159%
          HG3   LYS+  74 - HN    ILE  119  17.14 +/- 1.24   0.051% * 11.9456% (0.73   0.02   0.02) =   0.144%
          HB    VAL   75 - HN    ILE  119  17.52 +/- 2.05   0.044% * 12.5720% (0.76   0.02   0.02) =   0.129%
          QG2   ILE  103 - HN    CYS   21  15.70 +/- 0.89   0.080% *  4.3419% (0.26   0.02   0.02) =   0.082%
          QD1   ILE  103 - HN    CYS   21  14.63 +/- 1.74   0.150% *  0.9104% (0.06   0.02   0.02) =   0.032%
    Distance limit 3.48 A violated in 15 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.92, residual support = 40.8:
          QG2   THR  118 - HN    ILE  119   3.23 +/- 0.33  99.986% * 99.9087% (0.57   6.92  40.76) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.30 +/- 1.71   0.014% *  0.0913% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.804, support = 4.14, residual support = 52.4:
          QB    ALA  120 - HN    ILE  119   4.13 +/- 0.11  69.899% * 65.8462% (0.80   4.40  55.80) =  92.712%  kept
          HB3   LEU  115 - HN    ILE  119   5.63 +/- 0.58  12.947% * 13.4901% (0.95   0.76   9.73) =   3.518%  kept
          HG    LEU  115 - HN    ILE  119   5.97 +/- 0.95  12.478% * 13.8591% (0.80   0.93   9.73) =   3.484%  kept
          HG    LEU   73 - HN    CYS   21   7.38 +/- 0.92   3.062% *  4.5532% (0.15   1.58   2.74) =   0.281%
          HG    LEU   67 - HN    ILE  119  13.07 +/- 3.44   0.269% *  0.3706% (0.99   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ILE  119   9.68 +/- 2.08   0.862% *  0.1154% (0.31   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  14.44 +/- 3.87   0.112% *  0.3537% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  15.39 +/- 3.56   0.059% *  0.2117% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  13.32 +/- 2.83   0.112% *  0.0655% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.63 +/- 3.28   0.037% *  0.1820% (0.49   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.26 +/- 1.48   0.033% *  0.1171% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.77 +/- 1.41   0.027% *  0.1118% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  20.72 +/- 4.11   0.009% *  0.2268% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  16.19 +/- 1.06   0.021% *  0.0669% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.92 +/- 1.36   0.008% *  0.1118% (0.30   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.52 +/- 2.52   0.009% *  0.0946% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.00 +/- 0.87   0.033% *  0.0207% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.17 +/- 0.86   0.014% *  0.0365% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.31 +/- 1.54   0.005% *  0.0946% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.73 +/- 1.91   0.004% *  0.0717% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.75, residual support = 2.5:
          QG2   VAL   75 - HN    CYS   21   4.88 +/- 0.80  94.879% * 98.2445% (1.00   1.75   2.50) =  99.969%  kept
          QG2   VAL   42 - HN    CYS   21  10.74 +/- 0.99   1.549% *  1.0644% (0.95   0.02   0.02) =   0.018%
          QG2   VAL   42 - HN    ILE  119   9.62 +/- 2.62   3.428% *  0.3363% (0.30   0.02   0.02) =   0.012%
          QG2   VAL   75 - HN    ILE  119  15.43 +/- 1.15   0.144% *  0.3548% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 4 structures by 0.65 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.28 +/- 0.06  99.997% * 99.6430% (0.84  10.0   3.73  15.22) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.35 +/- 0.64   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.37 +/- 0.47   0.002% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  18.97 +/- 1.48   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.87 +/- 2.00   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.73 +/- 2.72   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.66, residual support = 25.3:
          QG2   ILE   19 - HN    ALA   20   2.32 +/- 0.24  99.998% * 99.7535% (0.99   3.66  25.26) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.73 +/- 1.15   0.002% *  0.2465% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 6.0, residual support = 175.9:
      O   HB    ILE   19 - HN    ILE   19   2.43 +/- 0.19  99.471% * 99.4048% (0.97  10.0   6.00 175.90) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.13 +/- 0.42   0.450% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.43 +/- 0.43   0.066% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  14.02 +/- 1.06   0.004% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.87 +/- 1.69   0.005% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.61 +/- 0.69   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.10 +/- 1.28   0.001% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  17.08 +/- 1.28   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.67 +/- 1.60   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  21.74 +/- 1.61   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 6.23, residual support = 173.1:
          HG12  ILE   19 - HN    ILE   19   3.17 +/- 0.60  85.166% * 78.3940% (0.73   6.31 175.90) =  98.340%  kept
          HG    LEU   73 - HN    ILE   19   5.70 +/- 0.55   4.734% * 14.7025% (0.80   1.07   4.00) =   1.025%  kept
          HB3   LYS+  74 - HN    ILE   19   5.13 +/- 0.61   9.214% *  4.6519% (0.18   1.55   8.65) =   0.631%  kept
          QB    ALA   61 - HN    ILE   19   8.57 +/- 1.19   0.342% *  0.3302% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   19   9.32 +/- 1.04   0.177% *  0.3422% (1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   19   9.73 +/- 1.75   0.206% *  0.0762% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  12.72 +/- 1.14   0.035% *  0.2858% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  12.59 +/- 0.93   0.027% *  0.3237% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.76 +/- 1.44   0.051% *  0.1056% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  16.07 +/- 2.52   0.017% *  0.2740% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  13.42 +/- 0.79   0.021% *  0.1056% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  19.89 +/- 1.94   0.003% *  0.2350% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.85 +/- 1.45   0.006% *  0.1056% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.36 +/- 3.44   0.003% *  0.0677% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 6.0, residual support = 175.9:
          HG13  ILE   19 - HN    ILE   19   2.79 +/- 0.66  96.705% * 98.0277% (0.97   6.00 175.90) =  99.989%  kept
          HG2   LYS+  74 - HN    ILE   19   6.63 +/- 0.87   1.926% *  0.3357% (0.99   0.02   8.65) =   0.007%
          HG    LEU   71 - HN    ILE   19   7.71 +/- 1.23   1.047% *  0.3320% (0.98   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    ILE   19   9.41 +/- 0.93   0.132% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   19   9.22 +/- 0.59   0.134% *  0.0458% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.91 +/- 1.51   0.032% *  0.0845% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.51 +/- 1.24   0.004% *  0.3380% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  15.77 +/- 2.17   0.011% *  0.1271% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.40 +/- 1.32   0.005% *  0.2327% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  17.92 +/- 0.82   0.002% *  0.1393% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  22.17 +/- 2.31   0.001% *  0.1045% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.91, residual support = 22.2:
          QG1   VAL   18 - HN    ILE   19   2.41 +/- 0.29  99.510% * 96.4362% (0.34   4.91  22.21) =  99.996%  kept
          QD1   LEU   71 - HN    ILE   19   7.00 +/- 0.94   0.320% *  0.7907% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   70 - HN    ILE   19   9.05 +/- 1.17   0.164% *  0.5161% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  14.77 +/- 2.80   0.003% *  0.7907% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.53 +/- 0.76   0.001% *  1.1110% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.35 +/- 3.01   0.002% *  0.3553% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 4.86, residual support = 83.2:
          QG2   VAL   18 - HN    ILE   19   3.99 +/- 0.36  25.560% * 57.5805% (0.97   4.86  22.21) =  53.139%  kept
          QD1   ILE   19 - HN    ILE   19   3.80 +/- 0.64  29.925% * 37.4542% (0.57   5.39 175.90) =  40.469%  kept
          QD2   LEU   73 - HN    ILE   19   3.62 +/- 0.82  43.134% *  4.0973% (0.22   1.50   4.00) =   6.381%  kept
          QG1   VAL   43 - HN    ILE   19   7.32 +/- 0.89   0.695% *  0.2432% (0.99   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    ILE   19   7.69 +/- 0.99   0.476% *  0.2201% (0.90   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    ILE   19   9.24 +/- 1.01   0.159% *  0.2201% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  11.34 +/- 0.79   0.040% *  0.0837% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.10 +/- 1.16   0.010% *  0.1009% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.672, support = 4.13, residual support = 23.6:
          HG12  ILE   19 - HN    ALA   20   5.19 +/- 0.41  40.313% * 88.7644% (0.73   4.42  25.26) =  90.150%  kept
          HB3   LYS+  74 - HN    ALA   20   4.94 +/- 0.54  54.312% *  7.1564% (0.18   1.48   8.34) =   9.792%  kept
          HG    LEU   73 - HN    ALA   20   8.23 +/- 0.76   3.448% *  0.4425% (0.80   0.02   0.02) =   0.038%
          QB    ALA   61 - HN    ALA   20  10.44 +/- 1.21   0.762% *  0.5334% (0.97   0.02   0.02) =   0.010%
          HG    LEU   80 - HN    ALA   20  11.46 +/- 0.99   0.402% *  0.4616% (0.84   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ALA   20  13.54 +/- 1.09   0.146% *  0.5527% (1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ALA   20  12.50 +/- 0.89   0.289% *  0.1706% (0.31   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  16.02 +/- 0.93   0.052% *  0.5228% (0.95   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   20  13.82 +/- 1.99   0.162% *  0.1230% (0.22   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   20  18.15 +/- 2.64   0.030% *  0.4425% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.88 +/- 1.49   0.060% *  0.1706% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.11 +/- 2.14   0.006% *  0.3796% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.15 +/- 1.35   0.013% *  0.1706% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.57 +/- 3.14   0.007% *  0.1094% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.203, support = 2.66, residual support = 9.41:
          HB3   LYS+  74 - HN    CYS   21   2.92 +/- 0.60  90.978% * 12.4613% (0.18   2.72   9.85) =  94.178%  kept
          HG    LEU   73 - HN    CYS   21   7.38 +/- 0.92   0.916% * 33.1745% (0.80   1.58   2.74) =   2.524%  kept
          HG12  ILE   19 - HN    CYS   21   7.11 +/- 0.11   0.650% * 42.7111% (0.73   2.25   0.15) =   2.306%  kept
          HB3   LEU  115 - HN    ILE  119   5.63 +/- 0.58   4.056% *  1.9465% (0.10   0.76   9.73) =   0.656%  kept
          HG    LEU   80 - HN    CYS   21   7.53 +/- 1.02   0.706% *  5.3815% (0.84   0.25   1.68) =   0.316%
          HB2   LEU   80 - HN    CYS   21   8.48 +/- 0.89   0.656% *  0.1615% (0.31   0.02   1.68) =   0.009%
          HD3   LYS+ 121 - HN    ILE  119   6.72 +/- 0.94   1.441% *  0.0327% (0.06   0.02   4.40) =   0.004%
          QG    LYS+  66 - HN    ILE  119   9.68 +/- 2.08   0.181% *  0.1564% (0.30   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    CYS   21  11.20 +/- 1.29   0.043% *  0.5050% (0.97   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE  119  10.05 +/- 1.34   0.150% *  0.1324% (0.25   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE  119  10.91 +/- 0.94   0.056% *  0.1596% (0.30   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.00 +/- 0.87   0.008% *  0.5233% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.63 +/- 3.28   0.027% *  0.1324% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  13.32 +/- 2.83   0.020% *  0.1654% (0.32   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  16.34 +/- 2.56   0.006% *  0.4190% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.17 +/- 0.86   0.004% *  0.4950% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  14.44 +/- 3.87   0.032% *  0.0510% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.77 +/- 1.41   0.009% *  0.1615% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  13.07 +/- 3.44   0.038% *  0.0368% (0.07   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.26 +/- 1.48   0.009% *  0.1165% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.16 +/- 2.57   0.003% *  0.1201% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.73 +/- 1.91   0.001% *  0.3595% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.92 +/- 1.36   0.002% *  0.1615% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  20.72 +/- 4.11   0.002% *  0.1136% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.76 +/- 3.03   0.001% *  0.1036% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.09 +/- 1.44   0.003% *  0.0290% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  23.40 +/- 1.93   0.001% *  0.1381% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  23.04 +/- 2.33   0.001% *  0.0510% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.4:
      O   QG    GLN   17 - HE21  GLN   17   2.20 +/- 0.09  99.995% * 99.5957% (0.48  10.0   3.17  84.37) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.82 +/- 1.41   0.004% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.58 +/- 2.22   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.40 +/- 2.67   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.66 +/- 2.68   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.40 +/- 1.34   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.31 +/- 3.95   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.42 +/- 0.03  99.373% * 99.9055% (0.73 10.00   5.47  50.10) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.57 +/- 0.75   0.627% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.42 +/- 0.03  99.816% * 99.7850% (0.89 10.00   5.47  50.10) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.28 +/- 1.17   0.170% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  20.29 +/- 1.83   0.015% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.65:
        T HN    LYS+  74 - HN    ILE   19   3.86 +/- 0.52  99.797% * 99.4791% (0.41 10.00   3.25   8.65) = 100.000%  kept
          HN    THR   46 - HN    ILE   19  11.36 +/- 0.84   0.183% *  0.2021% (0.84  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE   19  18.80 +/- 1.46   0.011% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.06 +/- 1.54   0.004% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  21.29 +/- 1.38   0.004% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 2.81, residual support = 3.17:
          HN    THR   26 - HN    VAL   24   4.37 +/- 0.10  68.830% * 87.5742% (0.87   2.88   2.69) =  94.135%  kept
          HN    LEU   80 - HN    VAL   24   5.18 +/- 0.87  31.121% * 12.0675% (0.20   1.74  10.96) =   5.865%  kept
          HN    ALA   34 - HN    VAL   24  15.10 +/- 0.27   0.041% *  0.0950% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  20.78 +/- 1.70   0.007% *  0.2634% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 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   4.37 +/- 0.07  96.428% * 98.2423% (0.98   4.38  25.32) =  99.991%  kept
          HE3   TRP   27 - HN    VAL   24   8.45 +/- 0.17   1.864% *  0.3497% (0.76   0.02  26.10) =   0.007%
          HD2   HIS   22 - HN    VAL   24   8.64 +/- 0.20   1.641% *  0.1019% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  17.06 +/- 0.99   0.029% *  0.4535% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  18.14 +/- 2.30   0.031% *  0.1561% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.72 +/- 1.73   0.004% *  0.3822% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  24.03 +/- 0.81   0.004% *  0.3143% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.06:
          HE1   TRP   87 - HE1   TRP   27   5.16 +/- 3.86 100.000% *100.0000% (0.53   0.75   6.06) = 100.000%  kept
    Distance limit 3.97 A violated in 2 structures by 1.47 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.8:
        T HN    ALA   34 - HN    ASN   35   2.71 +/- 0.02  97.267% * 98.9220% (0.98 10.00   4.04  18.77) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.92 +/- 0.15   2.731% *  0.0531% (0.53  1.00   0.02   6.02) =   0.002%
        T HN    LEU   80 - HN    ASN   35  19.70 +/- 0.67   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.20 +/- 0.95   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.63 +/- 1.32   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 19.0:
        T HN    SER   37 - HN    GLU-  36   2.46 +/- 0.07  99.999% * 99.7690% (0.98 10.00   3.97  19.02) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.78 +/- 0.48   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  23.26 +/- 0.52   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  26.04 +/- 3.21   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 22.8:
        T HN    LYS+  38 - HN    THR   39   2.70 +/- 0.10  99.962% * 99.8693% (1.00 10.00   5.31  22.82) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.11 +/- 0.30   0.037% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.92 +/- 0.84   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.84 +/- 1.35   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   3.20 +/- 0.39  99.411% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   8.15 +/- 0.59   0.589% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.28, residual support = 7.04:
          HN    LEU   73 - HN    ASP-  44   3.99 +/- 0.36  94.728% * 72.0054% (0.38   4.34   7.19) =  97.996%  kept
          HN    VAL   42 - HN    ASP-  44   6.55 +/- 0.28   5.140% * 27.1115% (0.38   1.63   0.02) =   2.002%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.14 +/- 0.78   0.133% *  0.8830% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.46, residual support = 30.5:
          HN    VAL   42 - HN    VAL   43   4.38 +/- 0.10  63.734% * 64.6062% (0.38   6.11  36.93) =  76.925%  kept
          HN    LEU   73 - HN    VAL   43   4.90 +/- 0.52  35.449% * 34.8314% (0.38   3.29   9.17) =  23.067%  kept
          HN    LYS+ 106 - HN    VAL   43   9.38 +/- 0.80   0.817% *  0.5624% (1.00   0.02   0.02) =   0.009%
    Distance limit 4.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.59 +/- 0.69  32.765% * 23.7147% (1.00   0.02   0.02) =  40.179%  kept
          HN    LEU   63 - HN    ASP-  44  11.08 +/- 0.80  42.264% * 15.3753% (0.65   0.02   0.02) =  33.602%  kept
          HN    ILE   56 - HN    ASP-  44  13.60 +/- 1.27  13.775% * 18.1638% (0.76   0.02   0.02) =  12.938%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.80 +/- 1.90   9.349% * 23.7147% (1.00   0.02   0.02) =  11.464%  kept
          HE21  GLN   32 - HN    ASP-  44  18.62 +/- 0.73   1.847% * 19.0315% (0.80   0.02   0.02) =   1.818%  kept
    Distance limit 4.15 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.52, support = 0.0199, residual support = 0.667:
          QD    PHE   60 - HN    ASP-  44   6.37 +/- 0.89  86.776% * 13.9289% (0.41   0.02   0.86) =  76.744%  kept
          QE    PHE   59 - HN    ASP-  44  11.76 +/- 3.49   9.201% * 31.2761% (0.92   0.02   0.02) =  18.272%  kept
          HN    LYS+  66 - HN    ASP-  44  13.09 +/- 0.97   1.539% * 30.3855% (0.90   0.02   0.02) =   2.969%  kept
          HN    PHE   59 - HN    ASP-  44  12.92 +/- 1.15   1.343% * 19.1819% (0.57   0.02   0.02) =   1.636%  kept
          HN    LYS+  81 - HN    ASP-  44  13.57 +/- 0.66   1.140% *  5.2277% (0.15   0.02   0.02) =   0.378%
    Distance limit 4.44 A violated in 16 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.652, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.25 +/- 0.74  84.883% * 29.1578% (0.63   0.02   0.02) =  82.033%  kept
          HD21  ASN   69 - HN    ASP-  62  15.64 +/- 1.50  13.162% * 36.0114% (0.77   0.02   0.02) =  15.710%  kept
          HN    TRP   87 - HN    ASP-  62  21.76 +/- 1.56   1.954% * 34.8308% (0.75   0.02   0.02) =   2.256%  kept
    Distance limit 3.36 A violated in 20 structures by 7.59 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.86, residual support = 42.5:
        T HN    LEU   63 - HN    ASP-  62   2.56 +/- 0.08  99.948% * 98.0197% (0.32 10.00   5.86  42.54) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.48 +/- 0.67   0.044% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  13.62 +/- 1.90   0.008% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.14 +/- 0.94   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.36 +/- 0.97   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.925, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   8.18 +/- 0.45  98.224% * 48.0011% (0.92   0.02   0.02) =  98.078%  kept
          HN    ALA  110 - HN    LEU   73  16.76 +/- 2.21   1.776% * 51.9989% (1.00   0.02   0.02) =   1.922%  kept
    Distance limit 3.92 A violated in 20 structures by 4.23 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.404, support = 3.86, residual support = 20.4:
          HN    VAL   75 - HN    ASP-  76   4.36 +/- 0.10  72.660% * 48.6545% (0.28   4.64  27.21) =  71.800%  kept
          HN    ASP-  78 - HN    ASP-  76   5.18 +/- 0.35  27.333% * 50.7977% (0.73   1.86   3.20) =  28.200%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.42 +/- 1.86   0.006% *  0.3381% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.99 +/- 1.83   0.001% *  0.2097% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.35, residual support = 28.1:
        T HN    LYS+ 111 - HN    LYS+ 112   4.40 +/- 0.13  97.450% * 99.6886% (0.87 10.00   5.35  28.14) =  99.999%  kept
          HN    ILE   56 - HN    LYS+ 112   8.96 +/- 2.11   2.381% *  0.0559% (0.49  1.00   0.02   8.54) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  13.38 +/- 1.48   0.162% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.58 +/- 2.01   0.007% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  34.74 +/- 2.10   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.438, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   8.08 +/- 1.90  70.335% * 11.5373% (0.28   0.02   0.02) =  53.115%  kept
          QD    PHE   60 - HN    GLN  116  10.41 +/- 1.27  25.162% * 26.8436% (0.65   0.02   0.02) =  44.210%  kept
          HN    LYS+  66 - HN    GLN  116  13.73 +/- 1.36   4.209% *  8.2119% (0.20   0.02   0.02) =   2.262%  kept
          HN    LYS+  81 - HN    GLN  116  25.87 +/- 1.40   0.085% * 39.2529% (0.95   0.02   0.02) =   0.220%
          HE3   TRP   27 - HN    GLN  116  22.31 +/- 1.34   0.209% * 14.1544% (0.34   0.02   0.02) =   0.194%
    Distance limit 4.23 A violated in 18 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.797, support = 6.13, residual support = 54.0:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.01  83.098% * 85.8427% (0.80  10.0   6.20  55.80) =  96.831%  kept
          HA    THR  118 - HN    ALA  120   4.75 +/- 0.18  16.773% * 13.9171% (0.67   1.0   3.87   0.12) =   3.169%  kept
          HA2   GLY  109 - HN    ALA  120  14.24 +/- 2.11   0.053% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA  120  12.21 +/- 1.20   0.070% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  24.19 +/- 2.94   0.002% *  0.0792% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.79 +/- 1.72   0.001% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  21.51 +/- 1.65   0.002% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 6.83:
          HA    SER  117 - HN    ALA  120   3.62 +/- 0.24  99.841% * 95.2241% (0.92   0.75   6.83) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.82 +/- 1.80   0.116% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  13.73 +/- 0.78   0.039% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  21.47 +/- 2.41   0.004% *  0.4457% (0.16   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  28.20 +/- 1.89   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.02, residual support = 114.3:
      O   HG3   GLN  116 - HE21  GLN  116   3.33 +/- 0.45  99.994% * 99.8198% (0.69  10.0   4.02 114.26) = 100.000%  kept
          HB3   TRP   87 - HE21  GLN  116  22.44 +/- 2.23   0.002% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  19.25 +/- 2.25   0.004% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.94 +/- 4.17   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.502, support = 2.19, residual support = 40.6:
          QB    ALA  120 - HE21  GLN  116   3.86 +/- 0.86  87.448% *  6.2384% (0.41   0.91   0.53) =  58.843%  kept
          HG    LEU  115 - HE21  GLN  116   7.48 +/- 1.89   8.361% * 26.7317% (0.41   3.92  97.96) =  24.108%  kept
          HB3   LEU  115 - HE21  GLN  116   8.05 +/- 0.94   2.422% * 65.1266% (0.95   4.15  97.96) =  17.014%  kept
          QG    LYS+  66 - HE21  GLN  116  10.59 +/- 3.11   1.076% *  0.2279% (0.69   0.02   0.02) =   0.026%
          QB    ALA   61 - HE21  GLN  116  12.47 +/- 1.96   0.285% *  0.1132% (0.34   0.02   0.02) =   0.003%
          QB    ALA  110 - HE21  GLN  116  11.79 +/- 1.49   0.274% *  0.0581% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  16.12 +/- 4.18   0.050% *  0.2878% (0.87   0.02   0.02) =   0.002%
          HG    LEU   73 - HE21  GLN  116  22.14 +/- 4.06   0.024% *  0.2878% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  16.45 +/- 3.98   0.035% *  0.1615% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  19.05 +/- 3.95   0.012% *  0.3138% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  19.77 +/- 4.00   0.010% *  0.0739% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  25.45 +/- 3.93   0.002% *  0.3138% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  27.54 +/- 2.66   0.001% *  0.0657% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.377, support = 1.03, residual support = 0.588:
          HB    ILE  119 - HN    SER  117   5.35 +/- 0.47  35.168% * 53.6465% (0.20   1.63   1.02) =  56.889%  kept
          QB    GLU- 114 - HN    SER  117   4.88 +/- 0.19  57.811% * 24.3301% (0.61   0.24   0.02) =  42.412%  kept
          HB2   LYS+ 111 - HN    SER  117   7.25 +/- 0.93   6.931% *  3.3185% (1.00   0.02   0.02) =   0.694%  kept
          HG2   PRO   68 - HN    SER  117  18.08 +/- 3.05   0.035% *  1.4911% (0.45   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    SER  117  19.46 +/- 2.51   0.019% *  2.7780% (0.84   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    SER  117  21.47 +/- 1.51   0.009% *  3.3185% (1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  21.55 +/- 1.78   0.009% *  3.3185% (1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    SER  117  21.84 +/- 1.49   0.007% *  1.7498% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  25.79 +/- 2.20   0.003% *  1.4911% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  24.56 +/- 2.68   0.004% *  0.8293% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.25 +/- 1.58   0.004% *  0.6582% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  32.02 +/- 1.16   0.001% *  3.0702% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 2.11, residual support = 4.07:
          QB    ALA  120 - HN    SER  117   4.40 +/- 0.36  66.325% * 18.8834% (0.84   1.40   6.83) =  48.769%  kept
          HG    LEU  115 - HN    SER  117   5.83 +/- 0.97  18.589% * 36.5437% (0.84   2.70   1.45) =  26.452%  kept
          HB3   LEU  115 - HN    SER  117   5.80 +/- 0.38  14.698% * 43.2924% (0.92   2.90   1.45) =  24.777%  kept
          HG    LEU   67 - HN    SER  117  16.30 +/- 2.98   0.063% *  0.3172% (0.98   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    SER  117  12.10 +/- 1.35   0.211% *  0.0900% (0.28   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  17.29 +/- 2.77   0.034% *  0.2987% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  18.35 +/- 2.54   0.021% *  0.1963% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.42 +/- 2.69   0.015% *  0.1451% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.59 +/- 2.23   0.038% *  0.0499% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  22.33 +/- 2.83   0.006% *  0.1832% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 3.04, residual support = 17.1:
          HB2   PHE   97 - HN    LEU  104   3.42 +/- 0.85  91.135% * 83.0968% (1.00   3.06  17.29) =  98.923%  kept
          QE    LYS+ 106 - HN    LEU  104   6.72 +/- 1.43   5.184% * 15.7568% (0.76   0.76   0.02) =   1.067%  kept
          QE    LYS+  99 - HN    LEU  104   7.35 +/- 1.04   3.510% *  0.2041% (0.38   0.02  16.52) =   0.009%
          QE    LYS+  38 - HN    LEU  104  13.71 +/- 1.71   0.144% *  0.0953% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU  104  16.62 +/- 0.82   0.011% *  0.5391% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.83 +/- 1.95   0.016% *  0.3079% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.945, support = 5.48, residual support = 35.7:
          HG12  ILE  103 - HN    LEU  104   4.21 +/- 0.40  79.936% * 83.1282% (0.97   5.62  37.29) =  95.847%  kept
          QB    LYS+ 102 - HN    LEU  104   5.59 +/- 0.44  18.714% * 15.3658% (0.49   2.06   0.02) =   4.148%  kept
          HB    VAL   41 - HN    LEU  104   9.30 +/- 1.11   1.069% *  0.3063% (1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    LEU  104  14.46 +/- 1.30   0.058% *  0.2897% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  13.06 +/- 1.65   0.153% *  0.1045% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  17.21 +/- 4.20   0.032% *  0.2341% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.22 +/- 0.96   0.018% *  0.2224% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.55 +/- 0.91   0.016% *  0.1149% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  23.06 +/- 1.81   0.004% *  0.2341% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.8, residual support = 30.4:
          QB    LEU   98 - HN    ILE  103   4.64 +/- 1.02  98.636% * 89.0000% (0.61   1.80  30.45) =  99.980%  kept
          HD3   LYS+ 121 - HN    ILE  103  14.99 +/- 5.35   0.842% *  1.4627% (0.90   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    ILE  103  17.70 +/- 1.39   0.077% *  1.4147% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  103  16.83 +/- 1.79   0.159% *  0.6705% (0.41   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  103  17.49 +/- 1.31   0.058% *  1.3060% (0.80   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  103  18.59 +/- 2.02   0.040% *  1.5986% (0.98   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  103  19.18 +/- 1.09   0.033% *  1.4147% (0.87   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE  103  19.13 +/- 2.17   0.035% *  1.2464% (0.76   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.24 +/- 0.99   0.043% *  0.9234% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.92 +/- 1.98   0.063% *  0.4067% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.44 +/- 2.22   0.016% *  0.5563% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 5 structures by 0.55 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.725, support = 5.12, residual support = 34.6:
          QD2   LEU  104 - HN    ILE  103   4.41 +/- 0.83  26.835% * 79.7441% (1.00   5.58  37.29) =  60.253%  kept
          QD1   LEU   98 - HN    ILE  103   3.46 +/- 0.78  72.507% * 19.4679% (0.31   4.41  30.45) =  39.745%  kept
          QG1   VAL   43 - HN    ILE  103   8.49 +/- 1.08   0.351% *  0.0975% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  103   9.31 +/- 1.03   0.287% *  0.0566% (0.20   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  103  16.08 +/- 1.31   0.010% *  0.2758% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.64 +/- 1.09   0.006% *  0.1618% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.64 +/- 1.43   0.004% *  0.1963% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.89, residual support = 218.3:
          QD1   LEU  104 - HN    LEU  104   4.03 +/- 0.45  95.833% * 97.1289% (0.41   6.89 218.35) =  99.986%  kept
          QD1   LEU   63 - HN    LEU  104  10.13 +/- 1.18   0.527% *  0.6616% (0.97   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LEU  104   8.11 +/- 1.18   2.455% *  0.1357% (0.20   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU  104  10.40 +/- 1.77   0.575% *  0.4978% (0.73   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU  104  10.52 +/- 0.91   0.429% *  0.6616% (0.97   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU  104  13.58 +/- 2.51   0.143% *  0.4709% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  15.40 +/- 0.76   0.037% *  0.4435% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.389, support = 5.18, residual support = 29.4:
          QD2   LEU  104 - HN    ASP- 105   4.41 +/- 0.38  81.794% * 36.5621% (0.18   6.38  40.50) =  72.315%  kept
          QD1   LEU   98 - HN    ASP- 105   6.11 +/- 0.85  18.153% * 63.0675% (0.95   2.04   0.58) =  27.685%  kept
          QG2   ILE   19 - HN    ASP- 105  15.18 +/- 0.92   0.053% *  0.3704% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 136.5:
          HG3   LYS+ 106 - HN    LYS+ 106   3.05 +/- 0.61  95.488% * 95.5300% (0.90   4.02 136.51) =  99.994%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   8.64 +/- 4.21   3.832% *  0.0929% (0.18   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    LYS+ 106  10.72 +/- 1.30   0.127% *  0.5292% (1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.43 +/- 0.64   0.212% *  0.2181% (0.41   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+ 106   9.76 +/- 1.38   0.212% *  0.1181% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  13.31 +/- 1.07   0.021% *  0.5257% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  14.94 +/- 1.79   0.016% *  0.5292% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.58 +/- 1.57   0.016% *  0.5119% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.41 +/- 1.06   0.038% *  0.1809% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  14.69 +/- 1.54   0.014% *  0.1637% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.36 +/- 1.85   0.003% *  0.5292% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.88 +/- 2.88   0.014% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.26 +/- 1.38   0.002% *  0.5199% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  17.62 +/- 0.85   0.004% *  0.1050% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.71 +/- 1.73   0.000% *  0.3643% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.85, residual support = 26.9:
          QG1   VAL  107 - HN    LYS+ 106   4.68 +/- 0.79  96.825% * 97.0542% (0.53   2.85  26.94) =  99.971%  kept
          HG    LEU   63 - HN    LYS+ 106  11.86 +/- 2.23   2.653% *  0.9385% (0.73   0.02   0.02) =   0.026%
          HG3   LYS+ 112 - HN    LYS+ 106  15.28 +/- 1.65   0.252% *  0.3989% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   24 - HN    LYS+ 106  17.78 +/- 0.64   0.050% *  1.1212% (0.87   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    LYS+ 106  15.07 +/- 1.54   0.188% *  0.1994% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.99 +/- 0.96   0.032% *  0.2878% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 4 structures by 0.33 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.0:
          QG1   VAL  108 - HN    VAL  108   3.59 +/- 0.05  99.307% * 99.4338% (0.98   4.52  65.01) =  99.998%  kept
          HB3   LEU   63 - HN    VAL  108  12.06 +/- 2.35   0.570% *  0.2360% (0.53   0.02   0.02) =   0.001%
          QD1   LEU   40 - HN    VAL  108  12.68 +/- 1.47   0.078% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  14.92 +/- 2.57   0.045% *  0.1119% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 7.76:
          QG2   ILE   89 - HN    ALA   91   3.45 +/- 0.48  94.597% * 99.3838% (1.00   2.86   7.76) =  99.997%  kept
          QG1   VAL   83 - HN    TRP   27   6.46 +/- 2.10   5.198% *  0.0451% (0.07   0.02   2.70) =   0.002%
          QG1   VAL   83 - HN    ALA   91  11.32 +/- 1.74   0.117% *  0.3651% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  11.77 +/- 0.61   0.073% *  0.0857% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.86 +/- 1.28   0.007% *  0.1071% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.42 +/- 1.00   0.008% *  0.0132% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 39.5:
          HG3   LYS+  99 - HN    GLU- 100   3.63 +/- 0.64  66.879% * 94.9766% (0.45   5.33  39.65) =  99.655%  kept
          QB    ALA   34 - HN    GLU- 100   5.15 +/- 1.37  18.585% *  0.5777% (0.73   0.02   0.02) =   0.168%
          HG3   LYS+  38 - HN    GLU- 100   6.56 +/- 2.16  10.259% *  0.7885% (0.99   0.02   0.02) =   0.127%
          QG2   THR   39 - HN    GLU- 100   6.48 +/- 1.53   4.083% *  0.7525% (0.95   0.02   0.02) =   0.048%
          HG    LEU   71 - HN    GLU- 100  10.57 +/- 1.34   0.162% *  0.2986% (0.38   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    GLU- 100  14.92 +/- 1.60   0.018% *  0.5146% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.55 +/- 1.67   0.004% *  0.7134% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  20.57 +/- 1.20   0.002% *  0.7525% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  18.54 +/- 1.27   0.005% *  0.3270% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.46 +/- 1.14   0.003% *  0.2986% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.56:
          QB    ALA   84 - HN    LYS+  81   4.43 +/- 0.31  99.667% * 76.1181% (0.57   0.99   5.56) =  99.993%  kept
          HB3   LEU   73 - HN    LYS+  81  14.13 +/- 0.85   0.104% *  2.5147% (0.92   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  81  16.67 +/- 1.11   0.038% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  14.99 +/- 0.99   0.074% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.35 +/- 0.70   0.015% *  2.3630% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  20.39 +/- 1.75   0.013% *  2.7241% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  18.62 +/- 1.69   0.022% *  1.2213% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  20.44 +/- 1.52   0.012% *  2.1813% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  17.05 +/- 0.93   0.034% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  24.73 +/- 2.08   0.004% *  2.5769% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.46 +/- 2.25   0.003% *  2.6702% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.67 +/- 1.94   0.003% *  2.3630% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  26.09 +/- 1.82   0.003% *  1.1199% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.64 +/- 1.09   0.006% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.14 +/- 2.84   0.002% *  0.9292% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.89, residual support = 214.5:
          QD1   ILE   89 - HN    ILE   89   2.96 +/- 0.45  96.906% * 99.3847% (0.92   5.90 214.51) =  99.988%  kept
          QG2   VAL   83 - HN    ILE   89   5.89 +/- 0.98   3.063% *  0.3644% (1.00   0.02   0.02) =   0.012%
          QD2   LEU   31 - HN    ILE   89  11.96 +/- 0.62   0.031% *  0.2509% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 3.81, residual support = 9.46:
          QB    ALA   88 - HN    ILE   89   3.51 +/- 0.31  59.602% * 57.2348% (0.34   4.50   7.70) =  70.241%  kept
          QB    ALA   84 - HN    ILE   89   3.99 +/- 0.66  39.155% * 36.8939% (0.45   2.21  13.62) =  29.745%  kept
          HB3   LEU   80 - HN    ILE   89   9.08 +/- 1.20   0.418% *  0.7314% (0.98   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HN    ILE   89  11.73 +/- 1.61   0.331% *  0.6233% (0.84   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    ILE   89  11.86 +/- 1.61   0.449% *  0.3068% (0.41   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    ILE   89  13.83 +/- 2.25   0.023% *  0.4225% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  16.49 +/- 2.93   0.010% *  0.7314% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  16.20 +/- 0.92   0.006% *  0.7445% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  18.56 +/- 1.66   0.003% *  0.6888% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  21.29 +/- 1.31   0.001% *  0.5975% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  24.92 +/- 1.93   0.001% *  0.5126% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  25.13 +/- 1.01   0.000% *  0.5126% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.709, support = 3.68, residual support = 33.9:
          QB    ALA   91 - HN    GLN   90   4.01 +/- 0.46  67.666% * 61.1486% (0.84   3.04  32.51) =  78.459%  kept
          HG12  ILE   89 - HN    GLN   90   4.65 +/- 0.52  31.564% * 35.9827% (0.25   6.00  38.83) =  21.537%  kept
          HG2   LYS+  74 - HN    GLN   90  12.39 +/- 2.45   0.327% *  0.4441% (0.92   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    GLN   90  10.78 +/- 1.87   0.304% *  0.1805% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  13.89 +/- 2.57   0.111% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  19.93 +/- 2.23   0.007% *  0.4811% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  20.43 +/- 0.93   0.004% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  22.33 +/- 1.88   0.003% *  0.4314% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  17.51 +/- 0.66   0.011% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  23.11 +/- 0.96   0.002% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  27.52 +/- 1.46   0.001% *  0.2724% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 89.9:
      O   HB2   GLN   90 - HN    GLN   90   3.82 +/- 0.25  99.831% * 99.4917% (0.73  10.0   5.58  89.92) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  13.49 +/- 2.13   0.158% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  22.38 +/- 1.54   0.003% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  22.39 +/- 1.43   0.003% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  24.74 +/- 0.82   0.002% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.36 +/- 1.13   0.002% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  27.99 +/- 0.91   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.865, support = 5.5, residual support = 40.4:
          QD2   LEU   73 - HN    PHE   72   3.79 +/- 0.80  78.010% * 96.9673% (0.87   5.52  40.49) =  99.663%  kept
          QG2   VAL   18 - HN    PHE   72   5.64 +/- 0.57  13.089% *  1.7566% (0.34   0.25   2.95) =   0.303%
          QG1   VAL   41 - HN    PHE   72   5.97 +/- 0.98   6.427% *  0.3095% (0.76   0.02   0.02) =   0.026%
          QG1   VAL   43 - HN    PHE   72   7.18 +/- 0.76   2.172% *  0.2293% (0.57   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    PHE   72  11.23 +/- 1.06   0.138% *  0.3908% (0.97   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    PHE   72  13.32 +/- 1.28   0.060% *  0.2456% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    PHE   72  11.72 +/- 0.97   0.105% *  0.1010% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 1 structures by 0.15 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.59, residual support = 39.4:
          QB    ALA   64 - HN    PHE   72   4.82 +/- 0.81  99.901% * 99.8647% (1.00   2.59  39.44) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.23 +/- 0.60   0.099% *  0.1353% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 7 structures by 0.52 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.65:
          HB    ILE   19 - HN    LYS+  74   3.51 +/- 0.14  99.499% * 95.9634% (0.71   2.61   8.65) =  99.998%  kept
          HB2   GLN   17 - HN    LYS+  74   9.33 +/- 0.91   0.338% *  0.4465% (0.43   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LYS+  74  11.64 +/- 0.62   0.081% *  0.4465% (0.43   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+  74  13.09 +/- 0.80   0.040% *  0.5894% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+  74  17.13 +/- 0.91   0.008% *  0.7215% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  17.68 +/- 1.35   0.007% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  17.65 +/- 1.50   0.008% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.61 +/- 1.61   0.008% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  17.22 +/- 1.33   0.008% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.07 +/- 1.52   0.002% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.28, residual support = 39.1:
          QD1   LEU   73 - HN    LYS+  74   4.89 +/- 0.27  81.426% * 97.0497% (0.37   5.29  39.10) =  99.871%  kept
          QD2   LEU   80 - HN    LYS+  74   6.84 +/- 0.61  13.087% *  0.6259% (0.64   0.02   0.02) =   0.104%
          QG1   VAL   83 - HN    LYS+  74   9.83 +/- 0.92   1.536% *  0.5333% (0.54   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    LYS+  74  10.00 +/- 1.64   2.007% *  0.3672% (0.37   0.02   0.02) =   0.009%
          QG2   ILE   89 - HN    LYS+  74  10.02 +/- 1.16   1.588% *  0.1222% (0.12   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LYS+  74  14.43 +/- 2.28   0.227% *  0.6054% (0.61   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LYS+  74  14.63 +/- 1.01   0.129% *  0.6963% (0.71   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.41 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 4.58, residual support = 28.0:
          QG2   THR   77 - HN    ASP-  78   3.94 +/- 0.29  89.918% * 78.0465% (0.34   4.61  28.13) =  99.276%  kept
          HB3   LEU   80 - HN    ASP-  78   7.21 +/- 0.80   3.151% * 15.8597% (0.69   0.47   3.89) =   0.707%  kept
          QB    ALA   84 - HN    ASP-  78   6.31 +/- 0.58   6.639% *  0.1532% (0.15   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    ASP-  78  12.44 +/- 1.23   0.098% *  0.7209% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ASP-  78  11.78 +/- 0.90   0.157% *  0.4451% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.21 +/- 0.74   0.010% *  0.8292% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  20.62 +/- 2.24   0.006% *  0.8903% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.97 +/- 0.97   0.008% *  0.5620% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  18.84 +/- 2.22   0.010% *  0.2210% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  25.89 +/- 1.46   0.001% *  0.9927% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.12 +/- 1.10   0.001% *  0.9731% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.61 +/- 2.78   0.002% *  0.3064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 0.749:
          QB    ALA   47 - HN    ASP-  78   6.31 +/- 1.64  97.703% * 94.7883% (0.92   0.75   0.75) =  99.934%  kept
          QG1   VAL   42 - HN    ASP-  78  13.67 +/- 0.64   2.108% *  2.6840% (0.98   0.02   0.02) =   0.061%
          HG2   LYS+ 112 - HN    ASP-  78  21.00 +/- 2.51   0.189% *  2.5277% (0.92   0.02   0.02) =   0.005%
    Distance limit 4.45 A violated in 14 structures by 1.97 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.592, support = 4.32, residual support = 25.7:
          HB    THR   77 - HN    ASP-  78   4.05 +/- 0.19  78.705% * 37.3941% (0.45   4.61  28.13) =  69.840%  kept
          HA    GLU-  79 - HN    ASP-  78   5.08 +/- 0.15  20.875% * 60.8813% (0.92   3.64  19.94) =  30.158%  kept
          HA1   GLY   51 - HN    ASP-  78  13.27 +/- 2.14   0.103% *  0.3611% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.67 +/- 0.67   0.150% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  78  12.16 +/- 0.59   0.118% *  0.1622% (0.45   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  14.69 +/- 1.30   0.041% *  0.3245% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.18 +/- 2.10   0.005% *  0.2049% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.54 +/- 0.69   0.001% *  0.3492% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  25.37 +/- 2.02   0.002% *  0.0634% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  33.63 +/- 1.75   0.000% *  0.1234% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 39.7:
      O   HA    ASP-  78 - HN    ASP-  78   2.78 +/- 0.04  99.447% * 99.8154% (1.00  10.0   4.57  39.67) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.18 +/- 0.75   0.435% *  0.0486% (0.49   1.0   0.02   3.89) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.10 +/- 0.86   0.097% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  11.60 +/- 0.83   0.021% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.99 +/- 1.32   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.12, residual support = 218.5:
      O   HA    ILE  119 - HN    ILE  119   2.84 +/- 0.02  73.510% * 50.7779% (1.00  10.0   8.76 260.92) =  80.743%  kept
      O   HA    THR  118 - HN    ILE  119   3.58 +/- 0.05  18.166% * 49.0042% (0.97  10.0   5.41  40.76) =  19.256%  kept
          HA    VAL   75 - HN    CYS   21   4.31 +/- 0.51   8.222% *  0.0028% (0.06   1.0   0.02   2.50) =   0.000%
          HA2   GLY  109 - HN    ILE  119  12.19 +/- 1.90   0.051% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  11.91 +/- 1.82   0.046% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.63 +/- 1.73   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  22.32 +/- 2.14   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  18.25 +/- 1.41   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.34 +/- 2.28   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.00 +/- 1.99   0.001% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.48 +/- 1.50   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  20.64 +/- 1.77   0.001% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.715, support = 5.49, residual support = 31.4:
          HB2   CYS   53 - HN    ARG+  54   3.31 +/- 0.32  88.425% * 83.8221% (0.72   5.53  31.87) =  98.377%  kept
          HD3   PRO   52 - HN    ARG+  54   5.07 +/- 0.19   8.260% * 14.7040% (0.26   2.67   1.75) =   1.612%  kept
          HD2   PRO   58 - HN    ARG+  54   6.85 +/- 1.34   2.079% *  0.3660% (0.87   0.02   0.02) =   0.010%
          HD2   PRO   58 - HN    ASP-  62   6.96 +/- 0.35   1.164% *  0.0685% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.93 +/- 1.04   0.060% *  0.0567% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  20.73 +/- 1.78   0.002% *  0.3439% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  17.06 +/- 0.86   0.005% *  0.0206% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.15 +/- 1.79   0.001% *  0.1353% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.62 +/- 1.41   0.000% *  0.3312% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.87 +/- 1.07   0.001% *  0.0620% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  23.43 +/- 1.15   0.001% *  0.0644% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.61 +/- 0.89   0.002% *  0.0253% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.945, support = 1.45, residual support = 3.34:
          QG2   VAL   18 - HN    ALA   61   5.24 +/- 0.90  87.784% * 94.0809% (0.95   1.45   3.34) =  99.873%  kept
          QG2   THR   46 - HN    ALA   61   8.84 +/- 1.18   5.992% *  1.1901% (0.87   0.02   0.02) =   0.086%
          QD2   LEU   73 - HN    ALA   61  10.98 +/- 1.68   4.465% *  0.3421% (0.25   0.02   0.02) =   0.018%
          QG1   VAL   43 - HN    ALA   61  12.22 +/- 0.98   0.698% *  1.3689% (1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    ALA   61  12.12 +/- 1.28   0.647% *  0.7218% (0.53   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    ALA   61  14.35 +/- 0.99   0.267% *  1.2665% (0.92   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ALA   61  17.06 +/- 1.21   0.103% *  0.5149% (0.38   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ALA   61  19.57 +/- 1.08   0.043% *  0.5149% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 7 structures by 0.81 A, kept.
 
    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   4.07 +/- 0.07  95.041% * 98.3840% (0.92   4.96  52.07) =  99.991%  kept
          HB2   LYS+  38 - HN    ASN   35   6.98 +/- 0.34   3.968% *  0.1195% (0.28   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    ASN   35   9.27 +/- 0.49   0.725% *  0.4260% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.02 +/- 0.52   0.259% *  0.3121% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  20.61 +/- 1.05   0.006% *  0.3729% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  26.42 +/- 1.12   0.001% *  0.3855% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 43.2:
      O   QB    MET   11 - HN    MET   11   3.00 +/- 0.42  99.855% * 99.3665% (0.69  10.0   3.00  43.23) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.23 +/- 1.05   0.110% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.59 +/- 1.27   0.032% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  19.74 +/- 3.79   0.003% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  32.37 +/- 2.05   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  34.03 +/- 1.83   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.85 +/- 1.71   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  28.92 +/- 2.75   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  38.92 +/- 2.50   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.58 +/- 2.35   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.2:
          HG2   MET   11 - HN    MET   11   3.67 +/- 0.83  99.773% * 97.3782% (0.92   3.31  43.23) =  99.999%  kept
          HB2   GLU-  14 - HN    MET   11  11.64 +/- 1.08   0.207% *  0.6025% (0.95   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    MET   11  19.60 +/- 3.69   0.013% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  21.04 +/- 2.57   0.006% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  33.27 +/- 2.11   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  31.47 +/- 2.34   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  40.53 +/- 2.43   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  35.54 +/- 2.22   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.2:
          HG3   MET   11 - HN    MET   11   3.05 +/- 0.47  99.901% * 98.0255% (0.92   3.31  43.23) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.29 +/- 1.38   0.097% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  23.39 +/- 2.36   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  23.36 +/- 3.48   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  31.34 +/- 2.29   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.20 +/- 2.31   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  31.91 +/- 1.62   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.26 +/- 1.95   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.943, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  19.06 +/- 2.45  77.254% * 22.9200% (1.00   0.02   0.02) =  86.296%  kept
          HD3   LYS+  74 - HN    MET   11  27.71 +/- 1.67   9.153% * 12.0587% (0.53   0.02   0.02) =   5.379%  kept
          QG    LYS+  81 - HN    MET   11  32.93 +/- 1.94   3.176% * 19.1444% (0.84   0.02   0.02) =   2.963%  kept
          HG    LEU  104 - HN    MET   11  30.88 +/- 2.27   4.482% *  8.6021% (0.38   0.02   0.02) =   1.879%  kept
          HG2   LYS+ 106 - HN    MET   11  35.39 +/- 2.16   1.998% * 17.5161% (0.76   0.02   0.02) =   1.706%  kept
          HB3   LYS+ 121 - HN    MET   11  34.34 +/- 3.28   2.922% *  8.6021% (0.38   0.02   0.02) =   1.225%  kept
          HB3   LYS+ 111 - HN    MET   11  40.17 +/- 2.50   1.016% * 11.1564% (0.49   0.02   0.02) =   0.552%  kept
    Distance limit 4.24 A violated in 20 structures by 13.96 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.59, residual support = 12.2:
          HG2   MET   11 - HN    ALA   12   4.12 +/- 0.23  98.604% * 97.8411% (0.72   3.59  12.22) =  99.992%  kept
          HB2   GLU-  14 - HN    ALA   12   8.66 +/- 0.84   1.307% *  0.5443% (0.72   0.02   0.02) =   0.007%
          HB2   PRO   68 - HN    ALA   12  16.30 +/- 3.62   0.087% *  0.1517% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.84 +/- 1.71   0.001% *  0.5347% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  32.13 +/- 1.99   0.000% *  0.2243% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  37.28 +/- 2.13   0.000% *  0.5347% (0.71   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  33.62 +/- 2.41   0.000% *  0.0955% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  34.67 +/- 2.33   0.000% *  0.0738% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.3:
      O   QB    ALA   12 - HN    ALA   12   2.81 +/- 0.13  99.992% * 99.1918% (0.68  10.0   2.30  12.31) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  17.33 +/- 2.79   0.004% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.00 +/- 2.14   0.002% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  21.45 +/- 2.23   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.57 +/- 1.66   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.75 +/- 1.93   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  22.22 +/- 1.28   0.000% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.04 +/- 3.93   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.41 +/- 1.91   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.22 +/- 3.71   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  29.39 +/- 1.72   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  36.27 +/- 2.72   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.89 +/- 1.79   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.18:
          QB    ALA   12 - HN    SER   13   2.55 +/- 0.44  99.983% * 91.5358% (0.95   1.76   5.18) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  15.45 +/- 2.19   0.009% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  16.16 +/- 2.14   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  18.52 +/- 2.03   0.002% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  18.86 +/- 1.33   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.77 +/- 1.53   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.95 +/- 0.84   0.001% *  0.4924% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  28.44 +/- 3.35   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.99 +/- 1.52   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  26.49 +/- 1.46   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  33.44 +/- 2.51   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  28.98 +/- 3.63   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.75 +/- 1.55   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.47, residual support = 6.67:
          QB    SER   13 - HN    GLU-  14   3.32 +/- 0.67  99.766% * 95.5734% (0.45   2.47   6.67) =  99.998%  kept
          HB3   SER   37 - HN    GLU-  14  12.90 +/- 2.67   0.137% *  1.0003% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.72 +/- 2.18   0.096% *  0.8226% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  25.53 +/- 1.64   0.001% *  1.1949% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  28.72 +/- 2.48   0.000% *  1.0003% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  29.11 +/- 1.53   0.000% *  0.4085% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.519, support = 3.66, residual support = 42.5:
          QG    GLU-  14 - HN    GLU-  14   3.39 +/- 0.90  71.622% * 71.4464% (0.53   3.92  48.33) =  87.641%  kept
          QG    GLU-  15 - HN    GLU-  14   4.45 +/- 1.07  27.689% * 26.0573% (0.42   1.80   0.82) =  12.357%  kept
          QB    MET   11 - HN    GLU-  14   8.14 +/- 0.62   0.636% *  0.0945% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  12.77 +/- 1.35   0.040% *  0.3987% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  17.54 +/- 2.07   0.007% *  0.3466% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  18.40 +/- 1.17   0.004% *  0.3466% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  23.43 +/- 1.77   0.001% *  0.4731% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  27.88 +/- 2.64   0.001% *  0.4281% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  24.62 +/- 1.80   0.001% *  0.1190% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  30.24 +/- 1.84   0.000% *  0.2895% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 3.87, residual support = 48.3:
      O   HB2   GLU-  14 - HN    GLU-  14   3.28 +/- 0.59  99.582% * 99.6047% (0.70  10.0   3.87  48.33) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.56 +/- 0.69   0.232% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  12.54 +/- 2.93   0.183% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.31 +/- 1.41   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.08 +/- 1.87   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  31.31 +/- 2.19   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  27.91 +/- 2.12   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  28.94 +/- 1.74   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.87, residual support = 48.3:
      O   HB3   GLU-  14 - HN    GLU-  14   3.26 +/- 0.21  99.772% * 99.6986% (0.62  10.0   3.87  48.33) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.37 +/- 0.81   0.219% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.71 +/- 1.79   0.008% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  23.01 +/- 0.97   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  27.96 +/- 2.29   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.4:
          QG    GLN   17 - HN    GLN   17   2.70 +/- 0.67  99.733% * 98.8145% (1.00   5.50  84.37) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.19 +/- 0.99   0.253% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.16 +/- 0.69   0.004% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.95 +/- 0.74   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.48 +/- 1.33   0.003% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.55 +/- 1.12   0.003% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.29 +/- 1.55   0.003% *  0.0801% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.02, residual support = 80.8:
      O   HB2   GLN   17 - HN    GLN   17   3.65 +/- 0.38  64.187% * 91.6404% (0.92  10.0   5.17  84.37) =  95.718%  kept
          QB    GLU-  15 - HN    GLN   17   4.11 +/- 0.21  33.468% *  7.8585% (0.92   1.0   1.72   0.02) =   4.280%  kept
          HB    ILE   19 - HN    GLN   17   7.55 +/- 0.62   1.028% *  0.0795% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLN   17   9.56 +/- 2.53   1.028% *  0.0562% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLN   17  10.39 +/- 1.76   0.219% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  12.19 +/- 1.32   0.066% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.08 +/- 1.37   0.003% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.47 +/- 0.85   0.002% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.04 +/- 1.64   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.4:
      O   HB3   GLN   17 - HN    GLN   17   3.22 +/- 0.35  97.747% * 99.6298% (0.98  10.0   5.17  84.37) =  99.998%  kept
          QB    LYS+  65 - HN    GLN   17   7.50 +/- 1.07   1.171% *  0.0738% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    GLN   17   8.10 +/- 1.36   0.860% *  0.0777% (0.76   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17   9.59 +/- 0.68   0.192% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.53 +/- 0.65   0.014% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.01 +/- 2.04   0.005% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.07 +/- 1.29   0.006% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.79 +/- 2.03   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.92 +/- 0.85   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.95, residual support = 6.13:
          QB    GLU-  15 - HN    GLY   16   2.25 +/- 0.34  98.926% * 39.2536% (0.98   1.94   6.06) =  99.256%  kept
          HB2   GLN   17 - HN    GLY   16   5.92 +/- 0.47   0.494% * 58.5549% (0.98   2.90  16.50) =   0.740%  kept
          HB3   PRO   68 - HN    GLY   16   8.16 +/- 2.45   0.430% *  0.3237% (0.78   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    GLY   16   8.76 +/- 0.77   0.062% *  0.2288% (0.55   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLY   16   9.11 +/- 1.76   0.067% *  0.1968% (0.47   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLY   16  12.70 +/- 1.53   0.009% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.12 +/- 1.18   0.010% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  21.37 +/- 1.08   0.000% *  0.3824% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.09 +/- 1.60   0.001% *  0.0900% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  20.73 +/- 1.31   0.000% *  0.2615% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  17.75 +/- 2.70   0.001% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  24.93 +/- 1.81   0.000% *  0.4006% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 50.1:
          QG    GLN   17 - HN    VAL   18   3.73 +/- 0.24  99.656% * 98.7514% (0.70   5.81  50.10) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.15 +/- 0.95   0.296% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   18  14.77 +/- 0.56   0.028% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  19.06 +/- 0.54   0.006% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.24 +/- 0.88   0.004% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.56 +/- 1.45   0.009% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 77.0:
      O   HB    VAL   18 - HN    VAL   18   2.67 +/- 0.37  99.236% * 99.4605% (0.70  10.0   4.99  77.00) =  99.999%  kept
          HB2   LEU   67 - HN    VAL   18   7.88 +/- 0.96   0.274% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    VAL   18   6.77 +/- 0.27   0.459% *  0.0305% (0.21   1.0   0.02  22.21) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.24 +/- 1.19   0.007% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.74 +/- 1.44   0.018% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  16.74 +/- 1.42   0.002% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  17.09 +/- 1.98   0.002% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  18.02 +/- 1.60   0.002% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.1:
          HB3   GLN   17 - HN    VAL   18   3.36 +/- 0.58  97.554% * 93.7828% (0.33   5.47  50.10) =  99.976%  kept
          QB    LYS+  65 - HN    VAL   18   6.94 +/- 1.19   1.950% *  0.9010% (0.87   0.02   0.02) =   0.019%
          HB2   LEU   71 - HN    VAL   18  10.04 +/- 0.59   0.212% *  0.8715% (0.84   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   18   9.72 +/- 0.78   0.211% *  0.8392% (0.81   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  13.34 +/- 0.88   0.038% *  0.6499% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.29 +/- 1.94   0.014% *  0.9958% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  19.64 +/- 1.43   0.004% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  17.53 +/- 2.87   0.009% *  0.2505% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  18.92 +/- 1.36   0.004% *  0.4890% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.08 +/- 1.60   0.004% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.25, residual support = 77.0:
          QG2   VAL   18 - HN    VAL   18   2.09 +/- 0.47  99.544% * 98.2922% (0.91   5.25  77.00) =  99.999%  kept
          QD1   ILE   19 - HN    VAL   18   6.16 +/- 0.87   0.297% *  0.2083% (0.51   0.02  22.21) =   0.001%
          QD2   LEU   73 - HN    VAL   18   7.21 +/- 0.61   0.106% *  0.0987% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18   9.93 +/- 1.36   0.025% *  0.3434% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  10.49 +/- 0.84   0.013% *  0.3950% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  10.75 +/- 0.89   0.013% *  0.3654% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.70 +/- 0.82   0.001% *  0.1486% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  16.93 +/- 1.09   0.001% *  0.1486% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.65:
          QB    ALA   64 - HN    VAL   18   3.42 +/- 0.42  99.942% * 99.8615% (0.84   2.25   8.65) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.46 +/- 1.90   0.058% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.436, support = 4.13, residual support = 20.1:
          HN    PHE   59 - HN    PHE   60   2.69 +/- 0.19  90.355% * 63.9846% (0.44   4.18  20.26) =  97.518%  kept
          QE    PHE   59 - HN    PHE   60   5.54 +/- 1.10   4.081% * 18.0983% (0.28   1.84  20.26) =   1.246%  kept
          QE    PHE   59 - HN    THR  118   5.23 +/- 1.13   5.005% * 14.6234% (0.16   2.64  11.02) =   1.235%  kept
          HN    HIS  122 - HN    THR  118   6.66 +/- 0.19   0.408% *  0.1465% (0.21   0.02   2.63) =   0.001%
          HN    PHE   59 - HN    THR  118  10.34 +/- 1.17   0.038% *  0.1731% (0.25   0.02  11.02) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.85 +/- 0.23   0.076% *  0.0567% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.16 +/- 1.12   0.014% *  0.2593% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.32 +/- 0.87   0.011% *  0.1215% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.93 +/- 1.97   0.001% *  0.4208% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.58 +/- 0.86   0.001% *  0.6563% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  21.08 +/- 3.29   0.001% *  0.5556% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.48 +/- 1.37   0.008% *  0.0320% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  19.73 +/- 1.60   0.001% *  0.2351% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  22.92 +/- 2.41   0.000% *  0.5038% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  20.61 +/- 2.87   0.001% *  0.1329% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.19, residual support = 42.0:
          HN    ALA   61 - HN    PHE   60   2.68 +/- 0.13  99.960% * 94.9437% (0.47   5.19  41.96) = 100.000%  kept
          HN    ALA   61 - HN    THR  118  12.54 +/- 1.10   0.013% *  0.2068% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  15.48 +/- 0.96   0.003% *  0.7842% (1.00   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.48 +/- 1.79   0.005% *  0.3627% (0.46   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.13 +/- 2.03   0.009% *  0.1552% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.82 +/- 1.29   0.001% *  0.5993% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  16.59 +/- 1.73   0.002% *  0.2050% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  18.69 +/- 1.87   0.001% *  0.3175% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  18.53 +/- 2.64   0.001% *  0.1794% (0.23   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  20.32 +/- 0.85   0.001% *  0.2797% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  24.74 +/- 2.11   0.000% *  0.6802% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.07 +/- 1.24   0.002% *  0.0641% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  27.66 +/- 1.96   0.000% *  0.7772% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.81 +/- 1.97   0.001% *  0.0362% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  23.87 +/- 1.31   0.000% *  0.1373% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  21.67 +/- 1.27   0.000% *  0.0724% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  25.18 +/- 1.32   0.000% *  0.1581% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.73 +/- 2.88   0.000% *  0.0409% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 71.8:
      O   HB3   PHE   60 - HN    PHE   60   2.92 +/- 0.30  99.590% * 98.9222% (0.47  10.0   4.94  71.82) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.78 +/- 2.56   0.204% *  0.0529% (0.25   1.0   0.02   3.08) =   0.000%
          HB2   PHE   97 - HN    THR  118  10.88 +/- 3.37   0.124% *  0.0294% (0.14   1.0   0.02   1.85) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.25 +/- 1.53   0.042% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  16.38 +/- 1.41   0.005% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.08 +/- 1.68   0.011% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  14.04 +/- 1.88   0.014% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  17.53 +/- 1.30   0.003% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.15 +/- 1.06   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  17.85 +/- 0.81   0.002% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  18.93 +/- 1.95   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  22.75 +/- 1.34   0.001% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  22.41 +/- 1.27   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  25.39 +/- 1.63   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  26.35 +/- 3.11   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 20.3:
          HB3   PHE   59 - HN    PHE   60   3.48 +/- 0.46  97.360% * 96.9680% (0.39   4.01  20.26) =  99.992%  kept
          HB3   PHE   59 - HN    THR  118   8.25 +/- 1.64   2.625% *  0.2736% (0.22   0.02  11.02) =   0.008%
          HB3   TRP   49 - HN    PHE   60  17.21 +/- 1.10   0.010% *  0.4642% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.33 +/- 0.80   0.003% *  1.0374% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  22.96 +/- 1.94   0.002% *  0.2623% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  28.88 +/- 1.79   0.000% *  0.9945% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.12 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 = 2.84, residual support = 5.27:
        T HN    SER  117 - HN    THR  118   2.72 +/- 0.13  99.968% * 97.7507% (0.17 10.00   2.84   5.27) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.08 +/- 0.78   0.026% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.73 +/- 0.86   0.005% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  20.22 +/- 1.79   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.50 +/- 0.97   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  26.15 +/- 1.37   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.13, support = 4.44, residual support = 37.1:
          QG2   THR  118 - HN    THR  118   3.57 +/- 0.11  92.436% * 83.9833% (0.13   4.50  37.71) =  98.463%  kept
          QG2   THR  118 - HN    PHE   60   7.55 +/- 1.93   7.564% * 16.0167% (0.23   0.47   0.02) =   1.537%  kept
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.126, support = 4.18, residual support = 52.3:
      O   HB    THR  118 - HN    THR  118   2.15 +/- 0.15  65.480% * 18.8470% (0.05  10.0   3.58  37.71) =  54.195%  kept
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.03  12.683% * 79.4082% (0.22  10.0   4.94  71.82) =  44.227%  kept
          QB    SER  117 - HN    THR  118   2.63 +/- 0.23  21.794% *  1.6479% (0.03   1.0   3.15   5.27) =   1.577%  kept
          HB    THR  118 - HN    PHE   60   9.18 +/- 1.55   0.029% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118   9.74 +/- 1.25   0.011% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.48 +/- 0.86   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.73, residual support = 37.7:
      O   HA    THR  118 - HN    THR  118   2.83 +/- 0.04  86.305% * 74.9766% (0.14  10.0   3.72  37.71) =  99.138%  kept
          HA    ILE  119 - HN    THR  118   5.18 +/- 0.12   2.320% * 24.0441% (0.17   1.0   5.47  40.76) =   0.855%  kept
          HD3   PRO   58 - HN    PHE   60   4.26 +/- 0.48   9.373% *  0.0311% (0.06   1.0   0.02   0.02) =   0.004%
          HA2   GLY  109 - HN    PHE   60  12.59 +/- 2.93   1.639% *  0.0797% (0.15   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    PHE   60   8.91 +/- 1.20   0.126% *  0.1593% (0.30   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  10.69 +/- 1.90   0.163% *  0.0440% (0.08   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.40 +/- 1.73   0.043% *  0.1358% (0.26   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  14.36 +/- 0.93   0.006% *  0.0667% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.49 +/- 1.52   0.002% *  0.1484% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.85 +/- 1.10   0.019% *  0.0172% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  17.72 +/- 1.13   0.002% *  0.1149% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.17 +/- 1.74   0.001% *  0.0635% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.34 +/- 2.10   0.000% *  0.0819% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  19.92 +/- 1.20   0.001% *  0.0368% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.0, residual support = 20.3:
      O   HA    PHE   59 - HN    PHE   60   3.58 +/- 0.05  80.828% * 99.4803% (0.99  10.0   4.00  20.26) =  99.995%  kept
          HA    ILE   56 - HN    PHE   60   5.07 +/- 0.95  16.200% *  0.0154% (0.15   1.0   0.02   3.98) =   0.003%
          HA    ASP- 113 - HN    THR  118   6.62 +/- 0.56   2.304% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   9.24 +/- 1.32   0.407% *  0.0802% (0.80   1.0   0.02  11.02) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.31 +/- 1.11   0.060% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.68 +/- 1.34   0.157% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  19.34 +/- 1.98   0.005% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  19.20 +/- 2.29   0.004% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  17.59 +/- 3.14   0.009% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.69 +/- 0.87   0.004% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  19.06 +/- 1.39   0.004% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.00 +/- 1.42   0.006% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  18.05 +/- 2.02   0.007% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  26.54 +/- 2.62   0.001% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  24.48 +/- 1.22   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.98 +/- 2.96   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  27.96 +/- 2.00   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.39 +/- 0.87   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.56 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.908, support = 4.79, residual support = 66.4:
      O   HA    PHE   60 - HN    PHE   60   2.82 +/- 0.03  39.924% * 94.1566% (0.96  10.0   4.94  71.82) =  91.879%  kept
          QB    SER  117 - HN    THR  118   2.63 +/- 0.23  59.815% *  5.5543% (0.36   1.0   3.15   5.27) =   8.120%  kept
          HA    PHE   60 - HN    THR  118   9.74 +/- 1.25   0.037% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR  118   6.97 +/- 0.40   0.192% *  0.0138% (0.14   1.0   0.02   5.81) =   0.000%
          QB    SER  117 - HN    PHE   60  11.48 +/- 0.86   0.010% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.83 +/- 1.18   0.009% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.30 +/- 0.96   0.004% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  16.17 +/- 0.88   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.51 +/- 1.09   0.004% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.84 +/- 1.26   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.68 +/- 1.88   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.81 +/- 1.39   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  24.06 +/- 3.22   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  22.93 +/- 0.99   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.05 +/- 2.10   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.481, support = 3.31, residual support = 20.1:
          HG12  ILE  119 - HN    THR  118   4.26 +/- 0.28  11.629% * 61.0176% (0.72   4.93  40.76) =  38.448%  kept
          QG    GLU-  15 - HN    GLU-  15   3.27 +/- 0.63  54.977% * 12.3721% (0.32   2.27  11.38) =  36.856%  kept
          QG    GLU-  14 - HN    GLU-  15   3.74 +/- 0.67  30.173% * 14.9252% (0.36   2.38   0.82) =  24.401%  kept
          HG12  ILE  119 - HN    PHE   60   7.09 +/- 0.93   0.709% *  7.2788% (0.89   0.47   0.02) =   0.280%
          HB2   ASP-  44 - HN    PHE   60   8.04 +/- 1.07   0.454% *  0.3070% (0.89   0.02   0.86) =   0.008%
          HB2   ASP- 105 - HN    THR  118   7.83 +/- 3.55   1.700% *  0.0373% (0.11   0.02   4.60) =   0.003%
          HB3   PHE   72 - HN    PHE   60  10.07 +/- 1.18   0.134% *  0.3304% (0.96   0.02   7.11) =   0.002%
          HB3   PHE   72 - HN    GLU-  15  10.00 +/- 1.21   0.078% *  0.1314% (0.38   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  15  10.46 +/- 0.89   0.060% *  0.0464% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  16.08 +/- 1.63   0.008% *  0.3393% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.73 +/- 1.27   0.011% *  0.2474% (0.72   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  13.26 +/- 1.63   0.018% *  0.1407% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.68 +/- 1.85   0.006% *  0.2662% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.79 +/- 0.94   0.006% *  0.2741% (0.79   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  16.93 +/- 2.07   0.003% *  0.2734% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  18.01 +/- 1.21   0.002% *  0.3160% (0.91   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.41 +/- 1.35   0.015% *  0.0463% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  15.60 +/- 0.96   0.005% *  0.1221% (0.35   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.41 +/- 1.97   0.003% *  0.1134% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.26 +/- 1.93   0.001% *  0.2209% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.89 +/- 1.66   0.003% *  0.0716% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.68 +/- 1.58   0.001% *  0.1221% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.16 +/- 1.46   0.000% *  0.2547% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.31 +/- 1.14   0.000% *  0.1801% (0.52   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  25.61 +/- 2.39   0.000% *  0.1349% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.57 +/- 1.46   0.000% *  0.1168% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.88 +/- 1.65   0.000% *  0.1451% (0.42   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.23 +/- 1.53   0.001% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  27.35 +/- 1.95   0.000% *  0.0560% (0.16   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.62 +/- 1.51   0.000% *  0.0941% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0814, support = 2.0, residual support = 10.9:
      O   QB    GLU-  15 - HN    GLU-  15   3.14 +/- 0.26  83.053% * 48.4510% (0.06  10.0   2.05  11.38) =  96.160%  kept
          QB    GLU- 114 - HN    THR  118   4.65 +/- 0.50   9.528% * 11.6643% (0.48   1.0   0.60   0.02) =   2.656%  kept
          HG3   PRO   58 - HN    PHE   60   6.32 +/- 0.32   1.474% * 32.0760% (0.89   1.0   0.91   0.02) =   1.130%  kept
          HB2   LEU  115 - HN    THR  118   5.66 +/- 0.24   2.732% *  0.5520% (0.69   1.0   0.02   0.02) =   0.036%
          HB2   LEU  115 - HN    PHE   60   7.49 +/- 0.84   0.714% *  0.6849% (0.86   1.0   0.02   0.02) =   0.012%
          HB2   GLN   17 - HN    GLU-  15   6.46 +/- 0.76   1.650% *  0.0485% (0.06   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    PHE   60  10.53 +/- 1.46   0.114% *  0.4789% (0.60   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   8.74 +/- 1.07   0.257% *  0.1969% (0.25   1.0   0.02   3.10) =   0.001%
          HB    ILE   19 - HN    GLU-  15  10.00 +/- 0.98   0.118% *  0.2157% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.90 +/- 0.93   0.054% *  0.3843% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  10.54 +/- 0.90   0.083% *  0.1528% (0.19   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.63 +/- 1.52   0.019% *  0.5707% (0.72   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  12.42 +/- 2.38   0.042% *  0.2400% (0.30   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  14.04 +/- 1.06   0.012% *  0.5424% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.54 +/- 0.55   0.068% *  0.0783% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  15.45 +/- 1.11   0.007% *  0.6034% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  12.16 +/- 1.08   0.033% *  0.1218% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  14.45 +/- 2.10   0.013% *  0.3097% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.79 +/- 3.02   0.008% *  0.4863% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  16.47 +/- 1.86   0.006% *  0.1587% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.54 +/- 0.81   0.006% *  0.1218% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.07 +/- 1.66   0.002% *  0.4371% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.46 +/- 1.27   0.001% *  0.2816% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  23.83 +/- 1.54   0.001% *  0.2724% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  20.15 +/- 1.82   0.002% *  0.0982% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.15 +/- 1.51   0.001% *  0.0982% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  21.17 +/- 1.45   0.001% *  0.0873% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.03 +/- 1.34   0.000% *  0.1905% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  25.24 +/- 0.95   0.000% *  0.2195% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  30.20 +/- 1.37   0.000% *  0.1769% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0921, support = 2.16, residual support = 3.97:
          QG1   ILE   56 - HN    PHE   60   3.69 +/- 1.03  91.217% * 44.9833% (0.09   2.17   3.98) =  99.771%  kept
          HG3   PRO   93 - HN    PHE   60   9.45 +/- 1.79   1.444% *  1.6018% (0.36   0.02   0.02) =   0.056%
          HB2   LEU   73 - HN    PHE   60  14.09 +/- 1.88   0.600% *  2.0227% (0.45   0.02   0.21) =   0.030%
          HB2   LEU  123 - HN    THR  118   8.70 +/- 0.51   1.190% *  0.9484% (0.21   0.02   0.02) =   0.027%
          QD    LYS+ 106 - HN    THR  118   9.87 +/- 1.97   1.112% *  0.9893% (0.22   0.02   3.08) =   0.027%
          HD2   LYS+ 111 - HN    THR  118   9.85 +/- 1.34   0.644% *  1.1609% (0.26   0.02   0.02) =   0.018%
          HB3   MET   92 - HN    PHE   60  11.67 +/- 1.49   0.347% *  2.0959% (0.47   0.02   0.02) =   0.018%
          QG1   ILE   56 - HN    THR  118   7.78 +/- 1.17   2.571% *  0.2344% (0.05   0.02   0.02) =   0.015%
          HB2   LEU   73 - HN    GLU-  15  13.52 +/- 1.43   0.121% *  4.3340% (0.97   0.02   0.02) =   0.013%
          HD2   LYS+ 111 - HN    PHE   60  13.92 +/- 2.02   0.082% *  2.0544% (0.46   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    THR  118  12.18 +/- 2.23   0.178% *  0.9052% (0.20   0.02   0.02) =   0.004%
          HB2   LEU  123 - HN    PHE   60  13.76 +/- 1.20   0.091% *  1.6783% (0.37   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HN    PHE   60  14.11 +/- 1.09   0.079% *  1.7507% (0.39   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    THR  118  15.33 +/- 3.29   0.088% *  0.9484% (0.21   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  17.46 +/- 1.68   0.022% *  3.5960% (0.80   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    THR  118  14.37 +/- 1.80   0.055% *  1.1844% (0.26   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    THR  118  18.90 +/- 2.40   0.042% *  1.1430% (0.25   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.89 +/- 1.38   0.021% *  1.6783% (0.37   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  22.62 +/- 3.92   0.007% *  3.5960% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  17.58 +/- 2.26   0.024% *  0.9998% (0.22   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  18.36 +/- 3.23   0.028% *  0.6706% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  22.75 +/- 3.01   0.005% *  2.5425% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  22.56 +/- 1.30   0.003% *  3.7511% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  24.89 +/- 1.85   0.003% *  3.4321% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.57 +/- 1.87   0.006% *  1.1866% (0.26   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  26.02 +/- 1.58   0.001% *  4.4909% (1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  19.26 +/- 1.22   0.007% *  0.8887% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.00 +/- 2.18   0.001% *  4.4020% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  22.43 +/- 3.12   0.007% *  0.2637% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  23.33 +/- 1.44   0.004% *  0.4666% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 3 structures by 0.26 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.245, support = 2.66, residual support = 41.8:
          QB    ALA   61 - HN    PHE   60   4.23 +/- 0.14  69.874% * 72.5939% (0.25   2.67  41.96) =  99.585%  kept
          HD3   LYS+ 121 - HN    THR  118   6.35 +/- 1.44  13.709% *  0.5399% (0.24   0.02   5.81) =   0.145%
          QB    ALA  110 - HN    PHE   60   8.78 +/- 2.86   6.223% *  0.7910% (0.36   0.02   0.02) =   0.097%
          QB    ALA   12 - HN    GLU-  15   7.06 +/- 0.85   4.635% *  0.8324% (0.38   0.02   0.02) =   0.076%
          HG12  ILE   19 - HN    GLU-  15   8.45 +/- 1.01   1.555% *  1.8525% (0.84   0.02   0.02) =   0.057%
          QB    ALA  110 - HN    THR  118   9.21 +/- 1.42   1.259% *  0.4470% (0.20   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    GLU-  15  10.37 +/- 1.03   0.422% *  0.8324% (0.38   0.02   0.02) =   0.007%
          QG    LYS+  66 - HN    PHE   60   8.96 +/- 0.83   0.960% *  0.2304% (0.10   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    GLU-  15  11.70 +/- 1.12   0.183% *  1.1668% (0.53   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    PHE   60  11.79 +/- 0.89   0.162% *  0.9283% (0.42   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    GLU-  15  13.81 +/- 1.08   0.066% *  1.9890% (0.90   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    PHE   60  14.43 +/- 1.72   0.070% *  0.9555% (0.43   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    PHE   60  11.95 +/- 0.91   0.154% *  0.3885% (0.18   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.19 +/- 0.94   0.085% *  0.4938% (0.22   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.38 +/- 0.90   0.134% *  0.3077% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.76 +/- 1.48   0.046% *  0.8646% (0.39   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  16.74 +/- 1.50   0.023% *  1.4347% (0.65   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  11.56 +/- 1.47   0.249% *  0.1302% (0.06   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  15.75 +/- 1.25   0.029% *  0.6696% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  15.03 +/- 2.60   0.050% *  0.3784% (0.17   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.67 +/- 1.70   0.011% *  1.0259% (0.46   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  15.08 +/- 2.23   0.049% *  0.2195% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  22.01 +/- 1.18   0.004% *  2.1982% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  21.08 +/- 1.39   0.005% *  1.6105% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  23.85 +/- 3.39   0.004% *  2.0473% (0.92   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.76 +/- 1.16   0.010% *  0.7516% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.25 +/- 2.36   0.004% *  1.6949% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.06 +/- 1.23   0.009% *  0.5246% (0.24   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  20.49 +/- 2.22   0.007% *  0.4886% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  23.08 +/- 2.04   0.003% *  0.5797% (0.26   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.34 +/- 1.44   0.005% *  0.3885% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  23.59 +/- 1.69   0.003% *  0.4247% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.33 +/- 1.70   0.001% *  0.2195% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.72, residual support = 25.6:
      O   QB    ALA   34 - HN    ALA   34   2.03 +/- 0.08  99.406% * 99.2769% (0.89  10.0   3.72  25.58) = 100.000%  kept
          QG2   THR   23 - HN    LEU   80   5.90 +/- 0.65   0.201% *  0.0983% (0.89   1.0   0.02   8.52) =   0.000%
          QG2   THR   39 - HN    ALA   34   6.54 +/- 0.88   0.177% *  0.0308% (0.28   1.0   0.02   4.65) =   0.000%
          QG2   THR   77 - HN    LEU   80   6.20 +/- 1.10   0.194% *  0.0221% (0.20   1.0   0.02   0.58) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.00 +/- 0.61   0.014% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.89 +/- 0.56   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.61 +/- 1.36   0.004% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.06 +/- 0.57   0.001% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.45 +/- 1.87   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.17 +/- 1.61   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.62 +/- 0.87   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.88 +/- 0.92   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.01 +/- 0.74   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.71 +/- 1.18   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.53, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.320% * 82.5982% (0.56  10.0   3.53  25.58) =  99.409%  kept
          HA    LYS+  81 - HN    LEU   80   4.98 +/- 0.26   2.949% * 16.0260% (0.47   1.0   4.66  30.93) =   0.590%  kept
          HA    GLU-  36 - HN    ALA   34   6.89 +/- 0.06   0.399% *  0.0600% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.73 +/- 0.17   0.202% *  0.1115% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.85 +/- 2.21   0.104% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  11.46 +/- 0.72   0.021% *  0.0999% (0.68   1.0   0.02   2.37) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.51 +/- 1.99   0.001% *  0.1281% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.82 +/- 0.75   0.001% *  0.0740% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.50 +/- 0.70   0.001% *  0.0768% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  25.41 +/- 5.88   0.000% *  0.1347% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.13 +/- 1.52   0.000% *  0.0949% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.47 +/- 2.02   0.000% *  0.1059% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.18 +/- 2.37   0.001% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.51 +/- 1.60   0.000% *  0.1430% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.17 +/- 0.66   0.000% *  0.0537% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.80 +/- 1.52   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.32 +/- 3.04   0.000% *  0.1206% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.93 +/- 1.23   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.976, support = 6.93, residual support = 42.8:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  75.002% * 91.2725% (0.99  10.0   6.97  43.71) =  97.943%  kept
          HA    GLN   32 - HN    ALA   34   4.55 +/- 0.19  18.890% *  7.5923% (0.34   1.0   4.83   0.10) =   2.052%  kept
          HA    GLU-  29 - HN    ALA   34   6.86 +/- 0.48   1.781% *  0.0913% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    LEU   80   6.98 +/- 0.64   1.647% *  0.0780% (0.85   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.65 +/- 0.46   2.103% *  0.0161% (0.17   1.0   0.02   1.06) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.18 +/- 1.04   0.180% *  0.0737% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.74 +/- 1.80   0.180% *  0.0500% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.39 +/- 1.59   0.119% *  0.0310% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.82 +/- 0.74   0.040% *  0.0903% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.57 +/- 0.83   0.018% *  0.0818% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.04 +/- 0.74   0.010% *  0.0808% (0.88   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  20.21 +/- 1.87   0.003% *  0.0871% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.87 +/- 0.86   0.003% *  0.0818% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.10 +/- 2.06   0.014% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.17 +/- 0.75   0.005% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.02 +/- 0.53   0.001% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.30 +/- 2.81   0.001% *  0.0737% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  21.68 +/- 1.02   0.002% *  0.0346% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.29 +/- 2.14   0.001% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.65 +/- 1.20   0.001% *  0.0559% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.60 +/- 0.91   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.66 +/- 1.48   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.76, support = 5.6, residual support = 43.1:
          HG3   LYS+  33 - HN    ALA   34   3.37 +/- 0.55  88.698% * 83.3752% (0.76   5.66  43.71) =  98.701%  kept
          QB    ALA   84 - HN    LEU   80   5.55 +/- 0.63   9.389% * 10.3306% (0.54   0.99   0.02) =   1.294%  kept
          HB3   LEU   73 - HN    ALA   34   9.13 +/- 1.15   0.321% *  0.3455% (0.89   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.34 +/- 1.71   0.354% *  0.1875% (0.49   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.15 +/- 1.53   0.875% *  0.0675% (0.17   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  11.16 +/- 0.57   0.085% *  0.3218% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  11.72 +/- 1.06   0.074% *  0.3095% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  13.81 +/- 2.03   0.049% *  0.3556% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  13.03 +/- 1.34   0.044% *  0.0860% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  15.67 +/- 1.53   0.015% *  0.2232% (0.58   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  15.02 +/- 2.34   0.022% *  0.1446% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.48 +/- 1.09   0.006% *  0.3844% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  17.16 +/- 0.85   0.007% *  0.2882% (0.75   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  16.42 +/- 0.64   0.008% *  0.2337% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  18.13 +/- 1.38   0.005% *  0.2637% (0.68   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  17.27 +/- 1.51   0.007% *  0.1680% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  19.58 +/- 1.88   0.003% *  0.3443% (0.89   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.12 +/- 0.55   0.009% *  0.0961% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  20.25 +/- 1.59   0.003% *  0.3218% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  15.76 +/- 0.92   0.011% *  0.0604% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  21.69 +/- 5.02   0.004% *  0.1446% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  23.05 +/- 2.08   0.001% *  0.2882% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  23.83 +/- 1.94   0.001% *  0.3185% (0.82   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  22.66 +/- 1.02   0.001% *  0.2492% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  18.74 +/- 1.07   0.004% *  0.0675% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.52 +/- 2.52   0.001% *  0.3330% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  20.53 +/- 1.17   0.002% *  0.0604% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  23.67 +/- 1.63   0.001% *  0.1295% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.34 +/- 2.36   0.000% *  0.3718% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.55 +/- 3.01   0.000% *  0.1295% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.726, support = 5.9, residual support = 43.4:
          QB    LYS+  33 - HN    ALA   34   2.93 +/- 0.29  94.912% * 53.0253% (0.72   5.93  43.71) =  97.574%  kept
          QB    LYS+  81 - HN    LEU   80   5.39 +/- 0.35   2.887% * 43.2070% (0.78   4.52  30.93) =   2.418%  kept
          HB3   GLN   30 - HN    ALA   34   5.94 +/- 0.37   1.920% *  0.1692% (0.69   0.02   1.13) =   0.006%
          HB3   LYS+  38 - HN    ALA   34   9.05 +/- 0.22   0.129% *  0.2136% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   80  13.26 +/- 2.84   0.087% *  0.1766% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.18 +/- 0.78   0.023% *  0.1515% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  14.90 +/- 1.96   0.008% *  0.1161% (0.47   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.02 +/- 1.40   0.007% *  0.1296% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.30 +/- 0.99   0.004% *  0.2209% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.54 +/- 1.79   0.004% *  0.1978% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.33 +/- 0.96   0.004% *  0.1602% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.35 +/- 1.54   0.003% *  0.1494% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.66 +/- 2.35   0.003% *  0.1249% (0.51   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.99 +/- 1.18   0.003% *  0.1199% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.86 +/- 0.78   0.001% *  0.2136% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  20.23 +/- 1.81   0.001% *  0.2129% (0.86   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.31 +/- 1.89   0.001% *  0.1161% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.08 +/- 1.21   0.001% *  0.1338% (0.54   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.80 +/- 1.70   0.000% *  0.1972% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.37 +/- 1.15   0.000% *  0.2377% (0.96   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.74 +/- 0.78   0.000% *  0.1913% (0.78   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.46 +/- 1.74   0.000% *  0.0752% (0.30   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.48 +/- 0.83   0.000% *  0.1296% (0.52   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.74 +/- 2.07   0.000% *  0.1394% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.16 +/- 1.03   0.000% *  0.1074% (0.44   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.07 +/- 1.19   0.000% *  0.0840% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.494, support = 7.46, residual support = 81.5:
      O   HA    LEU   80 - HN    LEU   80   2.68 +/- 0.27  94.649% * 71.1554% (0.50  10.0   7.52  82.10) =  99.240%  kept
          HA    ASP-  78 - HN    LEU   80   6.03 +/- 0.75   1.307% * 22.5173% (0.94   1.0   3.34   3.89) =   0.434%
          HA    THR   23 - HN    LEU   80   4.86 +/- 0.80   3.742% *  5.9206% (0.85   1.0   0.98   8.52) =   0.326%
          HB    THR   23 - HN    LEU   80   7.30 +/- 0.81   0.293% *  0.0508% (0.36   1.0   0.02   8.52) =   0.000%
          HA    THR   23 - HN    ALA   34  15.67 +/- 0.37   0.003% *  0.1003% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  14.83 +/- 0.74   0.004% *  0.0420% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  17.55 +/- 0.96   0.001% *  0.0588% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  22.88 +/- 0.77   0.000% *  0.1116% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.14 +/- 1.41   0.001% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  22.13 +/- 0.92   0.000% *  0.0237% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.55, residual support = 50.2:
      O   HA    GLU-  79 - HN    LEU   80   3.39 +/- 0.37  96.376% * 98.8868% (0.76  10.0   5.55  50.22) =  99.998%  kept
          HB    THR   77 - HN    LEU   80   7.14 +/- 1.31   2.742% *  0.0381% (0.29   1.0   0.02   0.58) =   0.001%
          HA    THR   39 - HN    ALA   34   8.10 +/- 0.46   0.624% *  0.0886% (0.68   1.0   0.02   4.65) =   0.001%
          HA    SER   85 - HN    LEU   80  10.90 +/- 0.63   0.114% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.41 +/- 1.03   0.061% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.12 +/- 1.11   0.036% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.94 +/- 2.21   0.009% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.77 +/- 1.72   0.007% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.16 +/- 0.43   0.014% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  20.41 +/- 0.99   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  19.96 +/- 1.46   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.70 +/- 1.33   0.001% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.61 +/- 0.60   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.66 +/- 2.94   0.004% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.42 +/- 1.07   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  21.30 +/- 0.50   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.80 +/- 1.90   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  26.07 +/- 2.41   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  27.37 +/- 1.81   0.000% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  31.99 +/- 2.00   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.789, support = 5.71, residual support = 49.6:
          HB3   GLU-  79 - HN    LEU   80   2.68 +/- 0.70  94.788% * 77.3680% (0.79   5.76  50.22) =  98.824%  kept
          QB    GLU-  36 - HN    ALA   34   5.09 +/- 0.18   4.275% * 20.3628% (0.70   1.71   0.02) =   1.173%  kept
          HB3   GLU-  29 - HN    ALA   34   7.76 +/- 0.64   0.428% *  0.2653% (0.78   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    LEU   80  12.99 +/- 2.33   0.182% *  0.2969% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ALA   34   9.81 +/- 0.77   0.118% *  0.2032% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.59 +/- 0.24   0.187% *  0.0821% (0.24   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.67 +/- 0.99   0.012% *  0.2458% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.37 +/- 0.99   0.008% *  0.3209% (0.94   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.17 +/- 0.64   0.001% *  0.2884% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.62 +/- 1.19   0.001% *  0.2221% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  24.96 +/- 1.37   0.000% *  0.2454% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  25.86 +/- 0.80   0.000% *  0.0993% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.71 +/- 0.02  99.991% * 98.7794% (0.80 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  19.70 +/- 0.67   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.19 +/- 2.69   0.001% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.31 +/- 0.82   0.005% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.64 +/- 0.91   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.19 +/- 1.34   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  30.13 +/- 1.72   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.50 +/- 1.31   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 5.12, residual support = 30.9:
          HN    LYS+  81 - HN    LEU   80   3.41 +/- 0.36  99.166% * 98.3417% (0.89   5.12  30.93) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.31 +/- 0.30   0.553% *  0.0958% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    LEU   80   9.84 +/- 0.83   0.236% *  0.0858% (0.20   0.02  11.95) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.57 +/- 1.05   0.022% *  0.3085% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.15 +/- 1.08   0.011% *  0.3445% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.94 +/- 0.80   0.003% *  0.4292% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.92 +/- 1.00   0.004% *  0.1328% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  20.08 +/- 1.94   0.004% *  0.0675% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.64 +/- 1.13   0.001% *  0.1189% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.08 +/- 1.34   0.001% *  0.0753% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.713, support = 1.35, residual support = 1.47:
          HA    GLN   30 - HN    ALA   34   4.52 +/- 0.53  57.662% * 35.0185% (0.80   1.34   1.13) =  69.571%  kept
          HB3   SER   37 - HN    ALA   34   5.19 +/- 0.36  27.796% * 19.5629% (0.45   1.34   1.06) =  18.735%  kept
          HB    THR   39 - HN    ALA   34   6.32 +/- 0.88  10.250% * 29.6091% (0.61   1.50   4.65) =  10.457%  kept
          HB3   SER   82 - HN    LEU   80   7.48 +/- 0.78   3.222% * 11.0517% (0.82   0.41   0.02) =   1.227%  kept
          HA    ILE   89 - HN    LEU   80  11.66 +/- 1.59   0.839% *  0.2614% (0.40   0.02   0.02) =   0.008%
          HA    GLN   30 - HN    LEU   80  14.62 +/- 0.81   0.052% *  0.4668% (0.72   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ALA   34  15.60 +/- 2.40   0.056% *  0.4211% (0.65   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  17.24 +/- 2.29   0.026% *  0.5057% (0.78   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   80  15.08 +/- 1.72   0.057% *  0.2188% (0.34   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  19.17 +/- 2.25   0.012% *  0.6009% (0.92   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  20.68 +/- 0.71   0.006% *  0.2918% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.85 +/- 0.95   0.005% *  0.3536% (0.54   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.36 +/- 0.87   0.004% *  0.2614% (0.40   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  24.42 +/- 1.28   0.002% *  0.3771% (0.58   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.49 +/- 1.47   0.002% *  0.2443% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  22.44 +/- 2.62   0.005% *  0.1004% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.19 +/- 1.70   0.001% *  0.5646% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.74 +/- 1.47   0.004% *  0.0900% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.748, support = 1.19, residual support = 3.5:
          HA    LEU   31 - HN    ALA   34   3.06 +/- 0.18  85.716% * 81.0009% (0.76   1.21   3.61) =  96.595%  kept
          HA    THR   77 - HN    LEU   80   4.92 +/- 1.46  14.278% * 17.1401% (0.34   0.58   0.58) =   3.405%  kept
          HA    LEU   31 - HN    LEU   80  15.56 +/- 0.64   0.005% *  1.2007% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.30 +/- 0.90   0.001% *  0.6583% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.336, support = 2.65, residual support = 5.24:
          HA    ASP-  78 - HN    LEU   80   6.03 +/- 0.75  22.989% * 79.4560% (0.40   3.34   3.89) =  71.114%  kept
          HA    THR   23 - HN    LEU   80   4.86 +/- 0.80  66.212% * 10.2598% (0.18   0.98   8.52) =  26.448%  kept
          HA    VAL   41 - HN    ALA   34   6.98 +/- 0.56   7.762% *  7.7877% (0.17   0.75   9.42) =   2.354%  kept
          HA    PHE   45 - HN    LEU   80   8.65 +/- 1.21   2.915% *  0.7296% (0.61   0.02   0.02) =   0.083%
          HA    PHE   45 - HN    ALA   34  16.69 +/- 0.55   0.036% *  0.8145% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.67 +/- 0.37   0.052% *  0.2347% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.34 +/- 0.66   0.028% *  0.1860% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  22.88 +/- 0.77   0.006% *  0.5316% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 2 structures by 0.47 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 3.73, residual support = 14.1:
          HB2   ASP-  76 - HN    LEU   80   4.23 +/- 0.81  62.073% * 24.3972% (0.75   2.83   2.89) =  54.035%  kept
          QE    LYS+  33 - HN    ALA   34   5.10 +/- 0.54  24.346% * 31.1959% (0.52   5.15  43.71) =  27.099%  kept
          HB2   ASP-  78 - HN    LEU   80   5.68 +/- 0.83  12.236% * 43.2025% (0.88   4.27   3.89) =  18.862%  kept
          HB2   ASN   28 - HN    ALA   34   9.28 +/- 0.35   0.679% *  0.0948% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    LEU   80  11.82 +/- 0.77   0.184% *  0.0849% (0.37   0.02   2.37) =   0.001%
          HB2   ASN   69 - HN    ALA   34  13.51 +/- 1.20   0.072% *  0.1674% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    LEU   80  10.16 +/- 0.78   0.339% *  0.0279% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.06 +/- 0.86   0.012% *  0.1925% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.16 +/- 1.35   0.018% *  0.1086% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.09 +/- 0.87   0.004% *  0.2259% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.73 +/- 2.48   0.023% *  0.0312% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.26 +/- 1.79   0.008% *  0.0641% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.07 +/- 2.39   0.005% *  0.0574% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.46 +/- 0.86   0.001% *  0.1499% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.61, residual support = 50.2:
          HB2   GLU-  79 - HN    LEU   80   2.97 +/- 0.69  99.077% * 94.7534% (0.44   5.61  50.22) =  99.997%  kept
          HG3   GLU-  36 - HN    ALA   34   7.22 +/- 0.27   0.799% *  0.2642% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  11.69 +/- 0.98   0.050% *  0.6801% (0.88   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.25 +/- 3.08   0.045% *  0.2367% (0.30   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.61 +/- 0.47   0.013% *  0.7593% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.47 +/- 2.52   0.008% *  0.6018% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.93 +/- 1.25   0.002% *  0.3770% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  19.92 +/- 1.53   0.002% *  0.2852% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.15 +/- 1.16   0.001% *  0.3184% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.42 +/- 1.87   0.001% *  0.2604% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.65 +/- 1.92   0.000% *  0.6719% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.60 +/- 0.82   0.001% *  0.2367% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.55 +/- 1.32   0.000% *  0.2642% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  26.00 +/- 1.27   0.000% *  0.2907% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.772, support = 5.7, residual support = 49.4:
          HB3   GLU-  79 - HN    LEU   80   2.68 +/- 0.70  88.379% * 69.6773% (0.78   5.76  50.22) =  98.265%  kept
          QB    GLU-  36 - HN    ALA   34   5.09 +/- 0.18   3.574% * 21.2905% (0.80   1.71   0.02) =   1.214%  kept
          QB    GLN   32 - HN    ALA   34   4.89 +/- 0.13   4.316% *  7.4984% (0.17   2.75   0.10) =   0.516%  kept
          HB    VAL   24 - HN    LEU   80   5.76 +/- 1.10   2.993% *  0.0621% (0.20   0.02  10.96) =   0.003%
          HB3   GLU-  29 - HN    ALA   34   7.76 +/- 0.64   0.359% *  0.1516% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34  10.01 +/- 1.70   0.123% *  0.1516% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.99 +/- 2.33   0.125% *  0.0861% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.81 +/- 0.77   0.102% *  0.0545% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.37 +/- 0.99   0.006% *  0.1357% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.67 +/- 0.99   0.010% *  0.0488% (0.16   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  15.03 +/- 0.41   0.006% *  0.0693% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.62 +/- 1.19   0.001% *  0.2701% (0.87   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.32 +/- 0.76   0.005% *  0.0488% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.17 +/- 0.64   0.001% *  0.2233% (0.72   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.38 +/- 1.28   0.000% *  0.1357% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  24.96 +/- 1.37   0.000% *  0.0961% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 0.24, residual support = 0.479:
          QG1   VAL   75 - HN    LEU   80   4.52 +/- 0.89  99.480% * 76.5501% (0.68   0.24   0.48) =  99.951%  kept
          QG1   VAL   75 - HN    ALA   34  12.76 +/- 0.74   0.462% *  7.1281% (0.76   0.02   0.02) =   0.043%
          QD1   LEU  115 - HN    LEU   80  18.41 +/- 2.45   0.036% *  7.7118% (0.82   0.02   0.02) =   0.004%
          QD1   LEU  115 - HN    ALA   34  20.89 +/- 2.61   0.022% *  8.6100% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 4 structures by 0.35 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 = 0.242, support = 7.18, residual support = 81.3:
          QD1   LEU   80 - HN    LEU   80   2.23 +/- 0.69  81.226% * 26.3834% (0.18   7.35  82.10) =  70.403%  kept
          QD2   LEU   80 - HN    LEU   80   3.42 +/- 0.72  15.262% * 56.7320% (0.40   6.98  82.10) =  28.445%  kept
          QG2   VAL   41 - HN    ALA   34   4.88 +/- 0.57   2.519% * 13.8117% (0.34   2.00   9.42) =   1.143%  kept
          QD1   LEU   73 - HN    ALA   34   5.66 +/- 1.89   0.749% *  0.3382% (0.83   0.02   0.02) =   0.008%
          QD2   LEU   98 - HN    ALA   34   7.50 +/- 1.21   0.171% *  0.0801% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   80  10.99 +/- 1.00   0.010% *  0.3029% (0.75   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.06 +/- 0.93   0.021% *  0.1010% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  11.59 +/- 0.56   0.010% *  0.1815% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  15.08 +/- 1.14   0.003% *  0.3382% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.84 +/- 1.67   0.002% *  0.3631% (0.89   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  13.17 +/- 1.40   0.011% *  0.0718% (0.18   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.75 +/- 0.63   0.006% *  0.1237% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.28 +/- 0.64   0.007% *  0.0801% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.42 +/- 1.55   0.001% *  0.3029% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.90 +/- 1.60   0.001% *  0.3252% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.48 +/- 2.70   0.001% *  0.1971% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.95 +/- 2.42   0.000% *  0.1765% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.06 +/- 1.07   0.001% *  0.0904% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.626, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.51 +/- 3.88  14.665% * 31.5414% (1.00   0.02   0.02) =  35.657%  kept
          HB3   LEU  104 - HN    ALA   34  16.18 +/- 1.17  58.492% *  7.0378% (0.22   0.02   0.02) =  31.734%  kept
          QD2   LEU  123 - HN    LEU   80  24.71 +/- 2.74   6.504% * 28.2508% (0.89   0.02   0.02) =  14.165%  kept
          HG3   LYS+ 121 - HN    ALA   34  22.57 +/- 4.73  11.560% * 14.1725% (0.45   0.02   0.02) =  12.630%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.13 +/- 2.44   3.144% * 12.6939% (0.40   0.02   0.02) =   3.076%  kept
          HB3   LEU  104 - HN    LEU   80  23.89 +/- 1.23   5.635% *  6.3036% (0.20   0.02   0.02) =   2.738%  kept
    Distance limit 4.33 A violated in 20 structures by 10.41 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.746, support = 5.89, residual support = 43.3:
          QB    LYS+  33 - HN    ALA   34   2.93 +/- 0.29  94.912% * 49.0682% (0.74   5.93  43.71) =  97.126%  kept
          QB    LYS+  81 - HN    LEU   80   5.39 +/- 0.35   2.887% * 47.6728% (0.94   4.52  30.93) =   2.870%  kept
          HB3   GLN   30 - HN    ALA   34   5.94 +/- 0.37   1.920% *  0.0719% (0.32   0.02   1.13) =   0.003%
          HB3   GLN   90 - HN    LEU   80  13.26 +/- 2.84   0.087% *  0.2074% (0.93   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   34   9.05 +/- 0.22   0.129% *  0.1061% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.18 +/- 0.78   0.023% *  0.0870% (0.39   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.02 +/- 1.40   0.007% *  0.1401% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.33 +/- 0.96   0.004% *  0.2002% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.54 +/- 1.79   0.004% *  0.2116% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.30 +/- 0.99   0.004% *  0.1749% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.66 +/- 2.35   0.003% *  0.1767% (0.79   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  14.90 +/- 1.96   0.008% *  0.0588% (0.26   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.35 +/- 1.54   0.003% *  0.1517% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.99 +/- 1.18   0.003% *  0.1337% (0.60   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.86 +/- 0.78   0.001% *  0.1746% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.31 +/- 1.89   0.001% *  0.1694% (0.76   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  20.23 +/- 1.81   0.001% *  0.1617% (0.72   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.08 +/- 1.21   0.001% *  0.1835% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.80 +/- 1.70   0.000% *  0.1715% (0.77   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.37 +/- 1.15   0.000% *  0.1337% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.74 +/- 0.78   0.000% *  0.1283% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.74 +/- 2.07   0.000% *  0.1461% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.16 +/- 1.03   0.000% *  0.1617% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.46 +/- 1.74   0.000% *  0.0326% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.48 +/- 0.83   0.000% *  0.0486% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  26.07 +/- 1.19   0.000% *  0.0270% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.72, residual support = 25.6:
      O   QB    ALA   34 - HN    ALA   34   2.03 +/- 0.08  99.574% * 98.3406% (0.24  10.0   3.72  25.58) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   6.20 +/- 1.10   0.195% *  0.3086% (0.76   1.0   0.02   0.58) =   0.001%
          QG2   THR   23 - HN    LEU   80   5.90 +/- 0.65   0.202% *  0.2493% (0.61   1.0   0.02   8.52) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.44 +/- 0.48   0.020% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.07 +/- 1.42   0.006% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.89 +/- 0.56   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.62 +/- 0.87   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.06 +/- 0.57   0.001% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.45 +/- 1.87   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  18.45 +/- 1.23   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.17 +/- 1.61   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  25.40 +/- 0.77   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.548, support = 6.81, residual support = 82.1:
          HG    LEU   80 - HN    LEU   80   2.99 +/- 0.88  57.652% * 48.5028% (0.76   1.0   6.87  82.10) =  57.709%  kept
      O   HB2   LEU   80 - HN    LEU   80   3.18 +/- 0.55  41.797% * 49.0263% (0.26  10.0   6.74  82.10) =  42.290%  kept
          HG    LEU   73 - HN    ALA   34   7.68 +/- 1.65   0.297% *  0.1218% (0.65   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ALA   34   9.13 +/- 0.89   0.092% *  0.1001% (0.54   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  13.68 +/- 2.40   0.020% *  0.1059% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.42 +/- 1.28   0.012% *  0.1473% (0.79   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.42 +/- 0.76   0.034% *  0.0497% (0.27   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80  10.08 +/- 0.84   0.059% *  0.0272% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  14.36 +/- 0.97   0.007% *  0.1455% (0.78   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.40 +/- 1.13   0.005% *  0.1167% (0.63   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.38 +/- 0.65   0.003% *  0.1211% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  16.57 +/- 1.53   0.002% *  0.1668% (0.89   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.72 +/- 2.45   0.002% *  0.1348% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  17.49 +/- 1.06   0.002% *  0.1379% (0.74   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  15.02 +/- 1.33   0.005% *  0.0364% (0.20   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.98 +/- 1.36   0.001% *  0.1407% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  15.94 +/- 0.66   0.003% *  0.0405% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.23 +/- 0.67   0.005% *  0.0225% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.40 +/- 0.98   0.000% *  0.1759% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.03 +/- 1.94   0.000% *  0.1114% (0.60   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.29 +/- 1.35   0.000% *  0.1702% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  23.87 +/- 2.02   0.000% *  0.1280% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.14 +/- 1.18   0.001% *  0.0601% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.89 +/- 1.62   0.000% *  0.0601% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  22.36 +/- 4.63   0.001% *  0.0255% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  22.55 +/- 1.35   0.000% *  0.0440% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  24.21 +/- 1.93   0.000% *  0.0497% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  26.45 +/- 2.71   0.000% *  0.0309% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.766, support = 0.759, residual support = 9.12:
          QG1   VAL   41 - HN    ALA   34   3.64 +/- 0.42  86.256% * 48.1233% (0.78   0.75   9.42) =  94.946%  kept
          HG    LEU   31 - HN    ALA   34   5.97 +/- 0.45   5.435% * 39.5285% (0.51   0.95   3.61) =   4.914%  kept
          QD2   LEU   73 - HN    ALA   34   6.66 +/- 1.81   4.256% *  0.6260% (0.38   0.02   0.02) =   0.061%
          QG1   VAL   43 - HN    ALA   34   7.92 +/- 0.70   1.084% *  1.1873% (0.72   0.02   0.02) =   0.029%
          QG2   THR   46 - HN    LEU   80   8.03 +/- 1.22   1.198% *  0.9435% (0.57   0.02   0.02) =   0.026%
          QD1   ILE   19 - HN    ALA   34   7.92 +/- 0.99   1.123% *  0.3576% (0.22   0.02   0.02) =   0.009%
          QG1   VAL   43 - HN    LEU   80  10.33 +/- 0.88   0.198% *  1.4360% (0.87   0.02   0.02) =   0.007%
          QD2   LEU   73 - HN    LEU   80  11.55 +/- 0.98   0.113% *  0.7572% (0.46   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LEU   80  13.19 +/- 1.15   0.050% *  1.1296% (0.69   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   80  13.12 +/- 0.73   0.051% *  1.0063% (0.61   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ALA   34  13.13 +/- 0.71   0.048% *  0.9339% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   80  14.33 +/- 0.72   0.025% *  1.5521% (0.94   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    LEU   80  13.07 +/- 0.90   0.055% *  0.4325% (0.26   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.41 +/- 1.20   0.075% *  0.2252% (0.14   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ALA   34  16.50 +/- 0.83   0.012% *  0.7801% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   80  16.47 +/- 1.72   0.012% *  0.3879% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  19.98 +/- 1.46   0.004% *  0.3207% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  20.04 +/- 1.10   0.004% *  0.2724% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.98, residual support = 82.1:
          QD2   LEU   80 - HN    LEU   80   3.42 +/- 0.72  81.861% * 97.3438% (0.85   6.98  82.10) =  99.964%  kept
          QD1   LEU   73 - HN    ALA   34   5.66 +/- 1.89   7.918% *  0.2521% (0.77   0.02   0.02) =   0.025%
          QG1   VAL   83 - HN    LEU   80   5.42 +/- 0.62   9.852% *  0.0776% (0.24   0.02   0.02) =   0.010%
          QD1   LEU   73 - HN    LEU   80  10.99 +/- 1.00   0.103% *  0.3049% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  11.59 +/- 0.56   0.079% *  0.2307% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.06 +/- 0.93   0.070% *  0.1767% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  15.08 +/- 1.14   0.016% *  0.2521% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  12.78 +/- 2.56   0.054% *  0.0641% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.42 +/- 1.55   0.010% *  0.3049% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.84 +/- 1.67   0.019% *  0.1153% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.95 +/- 2.42   0.005% *  0.2872% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.48 +/- 2.70   0.004% *  0.2374% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.90 +/- 1.60   0.005% *  0.1395% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.06 +/- 1.07   0.003% *  0.2137% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.24, residual support = 0.479:
          QG1   VAL   75 - HN    LEU   80   4.52 +/- 0.89  99.480% * 85.7951% (0.46   0.24   0.48) =  99.965%  kept
          QG1   VAL   75 - HN    ALA   34  12.76 +/- 0.74   0.462% *  5.9162% (0.38   0.02   0.02) =   0.032%
          QD1   LEU  115 - HN    LEU   80  18.41 +/- 2.45   0.036% *  4.5372% (0.29   0.02   0.02) =   0.002%
          QD1   LEU  115 - HN    ALA   34  20.89 +/- 2.61   0.022% *  3.7514% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 4 structures by 0.42 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.624, support = 3.51, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.251% * 88.9885% (0.63  10.0   3.53  25.58) =  99.668%  kept
          HA    LYS+  81 - HN    LEU   80   4.98 +/- 0.26   2.947% *  9.6706% (0.29   1.0   4.66  30.93) =   0.332%
          HA    ASN   28 - HN    ALA   34   7.73 +/- 0.17   0.202% *  0.1051% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.89 +/- 0.06   0.399% *  0.0247% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.85 +/- 2.21   0.104% *  0.0674% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  11.46 +/- 0.72   0.021% *  0.1271% (0.89   1.0   0.02   2.37) =   0.000%
          HA    THR   26 - HN    ALA   34   9.85 +/- 0.43   0.048% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.25 +/- 0.84   0.023% *  0.0235% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.51 +/- 1.99   0.001% *  0.1123% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.82 +/- 0.75   0.001% *  0.1076% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.13 +/- 1.52   0.000% *  0.1241% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.18 +/- 2.37   0.001% *  0.0815% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.47 +/- 2.02   0.000% *  0.1026% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  25.41 +/- 5.88   0.000% *  0.0807% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.50 +/- 0.70   0.001% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.51 +/- 1.60   0.000% *  0.0928% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.80 +/- 1.52   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.93 +/- 1.23   0.000% *  0.0498% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.17 +/- 0.66   0.000% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  32.32 +/- 3.04   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.587, support = 1.18, residual support = 3.47:
          HA    LEU   31 - HN    ALA   34   3.06 +/- 0.18  85.716% * 76.1104% (0.60   1.21   3.61) =  95.457%  kept
          HA    THR   77 - HN    LEU   80   4.92 +/- 1.46  14.278% * 21.7477% (0.36   0.58   0.58) =   4.543%  kept
          HA    LEU   31 - HN    LEU   80  15.56 +/- 0.64   0.005% *  1.5234% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.30 +/- 0.90   0.001% *  0.6186% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.658, support = 3.91, residual support = 16.7:
          HB2   ASP-  76 - HN    LEU   80   4.23 +/- 0.81  62.073% * 18.5274% (0.57   2.83   2.89) =  44.969%  kept
          QE    LYS+  33 - HN    ALA   34   5.10 +/- 0.54  24.346% * 35.0945% (0.60   5.15  43.71) =  33.408%  kept
          HB2   ASP-  78 - HN    LEU   80   5.68 +/- 0.83  12.236% * 45.1812% (0.93   4.27   3.89) =  21.617%  kept
          HB2   ASN   28 - HN    ALA   34   9.28 +/- 0.35   0.679% *  0.1155% (0.51   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  11.82 +/- 0.77   0.184% *  0.1397% (0.61   0.02   2.37) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.16 +/- 0.78   0.339% *  0.0600% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  13.51 +/- 1.20   0.072% *  0.0869% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.16 +/- 1.35   0.018% *  0.1650% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.06 +/- 0.86   0.012% *  0.1083% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.73 +/- 2.48   0.023% *  0.0496% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.26 +/- 1.79   0.008% *  0.0869% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.09 +/- 0.87   0.004% *  0.1750% (0.77   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.07 +/- 2.39   0.005% *  0.1051% (0.46   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.46 +/- 0.86   0.001% *  0.1051% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.61, residual support = 50.2:
          HB2   GLU-  79 - HN    LEU   80   2.97 +/- 0.69  99.077% * 95.4832% (0.46   5.61  50.22) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.22 +/- 0.27   0.799% *  0.1972% (0.27   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  11.69 +/- 0.98   0.050% *  0.6853% (0.93   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  14.25 +/- 3.08   0.045% *  0.2385% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.61 +/- 0.47   0.013% *  0.5666% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.47 +/- 2.52   0.008% *  0.6064% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.93 +/- 1.25   0.002% *  0.2814% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  19.92 +/- 1.53   0.002% *  0.2874% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.15 +/- 1.16   0.001% *  0.2376% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.42 +/- 1.87   0.001% *  0.2624% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.60 +/- 0.82   0.001% *  0.2385% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.65 +/- 1.92   0.000% *  0.5014% (0.68   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.55 +/- 1.32   0.000% *  0.1972% (0.27   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  26.00 +/- 1.27   0.000% *  0.2169% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.773, support = 6.94, residual support = 43.0:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  75.002% * 92.4674% (0.78  10.0   6.97  43.71) =  98.330%  kept
          HA    GLN   32 - HN    ALA   34   4.55 +/- 0.19  18.890% *  6.2140% (0.22   1.0   4.83   0.10) =   1.664%  kept
          HB2   SER   82 - HN    LEU   80   6.98 +/- 0.64   1.647% *  0.1003% (0.85   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    ALA   34   6.86 +/- 0.48   1.781% *  0.0892% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.65 +/- 0.46   2.103% *  0.0206% (0.17   1.0   0.02   1.06) =   0.001%
          HA    VAL   70 - HN    ALA   34  10.18 +/- 1.04   0.180% *  0.0802% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.74 +/- 1.80   0.180% *  0.0588% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.39 +/- 1.59   0.119% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.82 +/- 0.74   0.040% *  0.0875% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.57 +/- 0.83   0.018% *  0.1079% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.04 +/- 0.74   0.010% *  0.1058% (0.89   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.87 +/- 0.86   0.003% *  0.1118% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.10 +/- 2.06   0.014% *  0.0173% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  20.21 +/- 1.87   0.003% *  0.0829% (0.70   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.17 +/- 0.75   0.005% *  0.0311% (0.26   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.02 +/- 0.53   0.001% *  0.0970% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.29 +/- 2.14   0.001% *  0.0970% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.30 +/- 2.81   0.001% *  0.0802% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  21.68 +/- 1.02   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.65 +/- 1.20   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.60 +/- 0.91   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.66 +/- 1.48   0.000% *  0.0143% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.331, support = 0.0199, residual support = 0.64:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.39  77.169% *  3.3143% (0.17  1.00   0.02   1.13) =  55.816%  kept
          HN    GLU-  29 - HN    ALA   34   8.33 +/- 0.41  12.616% * 11.4785% (0.61  1.00   0.02   0.02) =  31.601%  kept
          HN    ASP-  86 - HN    LEU   80   9.54 +/- 0.62   6.634% *  3.7738% (0.20  1.00   0.02   0.02) =   5.464%  kept
          HN    GLU-  29 - HN    LEU   80  11.91 +/- 0.84   1.675% * 10.2810% (0.54  1.00   0.02   0.02) =   3.758%  kept
          HN    VAL   18 - HN    ALA   34  15.31 +/- 0.68   0.352% * 13.7422% (0.72  1.00   0.02   0.02) =   1.055%  kept
        T HN    ASP-  86 - HN    ALA   34  18.64 +/- 1.45   0.113% * 42.1332% (0.22 10.00   0.02   0.02) =   1.036%  kept
          HN    GLN   30 - HN    LEU   80  12.43 +/- 0.79   1.276% *  2.9685% (0.16  1.00   0.02   0.02) =   0.827%  kept
          HN    VAL   18 - HN    LEU   80  17.46 +/- 0.89   0.165% * 12.3085% (0.65  1.00   0.02   0.02) =   0.443%
    Distance limit 3.69 A violated in 20 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.243, support = 0.02, residual support = 0.589:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.39  77.169% *  2.6057% (0.11  1.00   0.02   1.13) =  51.195%  kept
          HN    GLU-  29 - HN    ALA   34   8.33 +/- 0.41  12.616% * 10.1298% (0.41  1.00   0.02   0.02) =  32.536%  kept
          HN    ASP-  86 - HN    LEU   80   9.54 +/- 0.62   6.634% *  4.0782% (0.17  1.00   0.02   0.02) =   6.888%  kept
          HN    GLU-  29 - HN    LEU   80  11.91 +/- 0.84   1.675% * 12.2517% (0.50  1.00   0.02   0.02) =   5.225%  kept
          HN    VAL   18 - HN    ALA   34  15.31 +/- 0.68   0.352% * 15.4172% (0.63  1.00   0.02   0.02) =   1.381%  kept
          HN    GLN   30 - HN    LEU   80  12.43 +/- 0.79   1.276% *  3.1515% (0.13  1.00   0.02   0.02) =   1.024%  kept
        T HN    ASP-  86 - HN    ALA   34  18.64 +/- 1.45   0.113% * 33.7193% (0.14 10.00   0.02   0.02) =   0.968%  kept
          HN    VAL   18 - HN    LEU   80  17.46 +/- 0.89   0.165% * 18.6466% (0.76  1.00   0.02   0.02) =   0.783%  kept
    Distance limit 3.67 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 = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.71 +/- 0.02  99.991% * 98.3004% (0.54 10.00   4.04  18.77) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  19.70 +/- 0.67   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.31 +/- 0.82   0.005% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.19 +/- 2.69   0.001% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.64 +/- 0.91   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.19 +/- 1.34   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  30.13 +/- 1.72   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.50 +/- 1.31   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 5.12, residual support = 30.9:
          HN    LYS+  81 - HN    LEU   80   3.41 +/- 0.36  99.170% * 98.6419% (0.94   5.12  30.93) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.31 +/- 0.30   0.553% *  0.0496% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80   9.84 +/- 0.83   0.236% *  0.0600% (0.15   0.02  11.95) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.57 +/- 1.05   0.022% *  0.3489% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.15 +/- 1.08   0.011% *  0.2885% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.94 +/- 0.80   0.003% *  0.3188% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.92 +/- 1.00   0.004% *  0.1322% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.64 +/- 1.13   0.001% *  0.1600% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.575, support = 1.61, residual support = 2.01:
          HG2   LYS+ 111 - HN    GLU- 114   5.05 +/- 0.92  55.671% * 59.8357% (0.73   1.20   2.25) =  73.626%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.36 +/- 0.27  41.008% * 29.0139% (0.15   2.75   1.34) =  26.297%  kept
          HB3   PRO   93 - HN    GLU- 114   9.90 +/- 2.11   2.436% *  1.0465% (0.76   0.02   0.02) =   0.056%
          HB2   LEU   63 - HN    GLU- 114  12.15 +/- 1.02   0.360% *  1.3422% (0.98   0.02   0.02) =   0.011%
          HB3   ASP-  44 - HN    GLU- 114  13.85 +/- 1.38   0.157% *  1.3693% (1.00   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    GLU- 114  16.20 +/- 0.76   0.054% *  1.3215% (0.97   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    GLU- 114  12.77 +/- 0.69   0.227% *  0.3049% (0.22   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    GLU- 114  17.33 +/- 1.92   0.044% *  1.0965% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.90 +/- 1.45   0.024% *  1.2280% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 114  23.38 +/- 1.41   0.006% *  1.2640% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  22.45 +/- 1.29   0.008% *  0.6139% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  26.51 +/- 1.00   0.003% *  1.0965% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  29.22 +/- 1.40   0.002% *  0.4671% (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        :    658
      with multiple volume contributions     :    305
      eliminated by violation filter         :     38
 
    Peaks:
      selected                               :   1094
      without assignment                     :     53
      with assignment                        :   1041
      with unique assignment                 :    757
      with multiple assignment               :    284
      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             :    912
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.7
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.571, support = 3.26, residual support = 46.8:
      O T HB2   GLU-  14 - HA    GLU-  14   2.81 +/- 0.17  85.827% * 27.7351% (0.39  10.0 10.00   2.96  48.33) =  70.490%  kept
    * O T HG2   MET   11 - HA    MET   11   3.91 +/- 0.30  14.068% * 70.8328% (1.00  10.0 10.00   4.00  43.23) =  29.509%  kept
        T HB2   GLU-  14 - HA    MET   11  10.83 +/- 0.82   0.032% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.53 +/- 1.00   0.040% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  12.78 +/- 2.93   0.027% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  18.14 +/- 3.98   0.004% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.85 +/- 1.28   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.30 +/- 1.84   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.05 +/- 1.87   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.84 +/- 2.48   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.92 +/- 1.76   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.91 +/- 1.93   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.47 +/- 2.08   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.34 +/- 2.11   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.18 +/- 1.87   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.74 +/- 2.52   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.665, support = 3.44, residual support = 46.0:
      O T HB3   GLU-  14 - HA    GLU-  14   2.73 +/- 0.22  75.416% * 26.7596% (0.37  10.0 10.00   2.96  48.33) =  53.331%  kept
    * O T HG3   MET   11 - HA    MET   11   3.48 +/- 0.57  24.498% * 72.0852% (1.00  10.0 10.00   4.00  43.23) =  46.668%  kept
        T HB3   GLU-  14 - HA    MET   11  10.51 +/- 1.30   0.037% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.41 +/- 1.06   0.044% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  15.70 +/- 1.63   0.003% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.16 +/- 1.44   0.001% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.85 +/- 2.56   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.04 +/- 1.49   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.55 +/- 0.96   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  22.53 +/- 2.41   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  30.71 +/- 1.80   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.14 +/- 2.01   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.80 +/- 1.68   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.18 +/- 1.73   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.59, support = 3.49, residual support = 45.1:
    * O T HA    MET   11 - HG2   MET   11   3.91 +/- 0.30  12.835% * 80.1848% (1.00  10.0 10.00   4.00  43.23) =  50.818%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.81 +/- 0.17  77.965% * 12.3446% (0.15  10.0 10.00   2.96  48.33) =  47.524%  kept
          HA    ALA   12 - HG2   MET   11   4.62 +/- 0.82   5.582% *  6.0094% (0.53   1.0  1.00   2.85  12.22) =   1.656%  kept
        T HA    GLU-  14 - HG2   MET   11  10.53 +/- 1.00   0.037% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.83 +/- 0.82   0.028% *  0.3003% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   5.55 +/- 1.06   2.901% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   GLU-  14   7.45 +/- 1.01   0.356% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.58 +/- 0.95   0.271% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.08 +/- 1.95   0.005% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.97 +/- 1.77   0.008% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.03 +/- 2.80   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.40 +/- 2.11   0.005% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.39 +/- 1.13   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.16 +/- 1.51   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.20 +/- 1.50   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.05 +/- 3.61   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.30 +/- 1.84   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.95 +/- 1.36   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.16 +/- 2.28   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.28 +/- 2.23   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.48 +/- 1.44   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.95 +/- 1.88   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  20.81 +/- 1.77   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.84 +/- 2.48   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.36 +/- 2.59   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.71 +/- 4.14   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.05 +/- 1.68   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.56 +/- 2.93   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.67 +/- 1.92   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  34.26 +/- 2.00   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.25 +/- 2.50   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.56 +/- 3.30   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  29.95 +/- 2.01   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  38.62 +/- 3.02   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.51 +/- 1.80   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.56 +/- 2.34   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.881, support = 3.28, residual support = 43.6:
    * O T QB    MET   11 - HG2   MET   11   2.27 +/- 0.15  54.447% * 66.1248% (1.00  10.0 10.00   3.31  43.23) =  84.817%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.37 +/- 0.15  43.573% * 14.0193% (0.21  10.0 10.00   3.16  48.33) =  14.391%  kept
        T QG    GLU-  15 - HB2   GLU-  14   4.92 +/- 0.92   1.868% * 17.9811% (0.27   1.0 10.00   2.32   0.82) =   0.791%  kept
        T QG    GLU-  14 - HG2   MET   11   9.72 +/- 1.15   0.015% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.81 +/- 1.06   0.013% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.83 +/- 1.48   0.004% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  10.28 +/- 2.17   0.067% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  15.77 +/- 2.79   0.001% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  20.48 +/- 3.80   0.000% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.86 +/- 1.53   0.004% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.08 +/- 1.89   0.001% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.12 +/- 1.92   0.003% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.12 +/- 1.23   0.000% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.67 +/- 1.50   0.002% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.39 +/- 1.60   0.000% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.99 +/- 1.48   0.000% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.78 +/- 2.07   0.000% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.02 +/- 1.90   0.001% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.04 +/- 1.63   0.000% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.27 +/- 1.62   0.000% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.82 +/- 2.51   0.000% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  22.30 +/- 1.62   0.000% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.35 +/- 2.57   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.47 +/- 2.80   0.000% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.31 +/- 1.43   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.05 +/- 1.67   0.000% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  28.27 +/- 1.98   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  32.10 +/- 2.23   0.000% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.28 +/- 2.93   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.10 +/- 1.77   0.000% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  35.19 +/- 2.18   0.000% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.38 +/- 1.55   0.000% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  38.05 +/- 2.73   0.000% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.6:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.993% * 72.5786% (1.00  10.0 10.00   4.00  43.23) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.994% * 25.7103% (0.35  10.0 10.00   3.00  48.33) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.72 +/- 1.38   0.002% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.78 +/- 1.47   0.002% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  10.69 +/- 2.58   0.005% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.84 +/- 1.97   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  22.04 +/- 1.97   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.14 +/- 2.00   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  29.88 +/- 2.18   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.81 +/- 1.68   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  26.97 +/- 2.47   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.71 +/- 2.40   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  21.91 +/- 1.30   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.30 +/- 1.88   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  23.39 +/- 2.24   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.52 +/- 2.18   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.41 +/- 1.48   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.74 +/- 2.56   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.62 +/- 1.55   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.63 +/- 1.67   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  38.42 +/- 2.20   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.739, support = 3.67, residual support = 44.2:
    * O T HA    MET   11 - HG3   MET   11   3.48 +/- 0.57  23.150% * 80.8189% (1.00  10.0 10.00   4.00  43.23) =  68.620%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.73 +/- 0.22  68.524% * 11.7961% (0.15  10.0 10.00   2.96  48.33) =  29.645%  kept
          HA    ALA   12 - HG3   MET   11   4.29 +/- 0.83   7.752% *  6.0991% (0.53   1.0  1.00   2.87  12.22) =   1.734%  kept
        T HA    GLU-  14 - HG3   MET   11  10.41 +/- 1.06   0.038% *  0.3323% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  10.51 +/- 1.30   0.033% *  0.2869% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.10 +/- 1.28   0.498% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  15.50 +/- 1.88   0.003% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.74 +/- 2.81   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  19.81 +/- 1.46   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.60 +/- 1.56   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  29.01 +/- 1.62   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.38 +/- 1.69   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.49 +/- 4.05   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.00 +/- 2.21   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.89 +/- 1.72   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  21.03 +/- 2.23   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  35.75 +/- 1.86   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  33.83 +/- 2.27   0.000% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.34 +/- 3.99   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.82 +/- 2.99   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  29.53 +/- 2.98   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  30.00 +/- 1.87   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  37.17 +/- 3.16   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  38.59 +/- 2.85   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.833, support = 3.27, residual support = 44.0:
    * O T QB    MET   11 - HG3   MET   11   2.48 +/- 0.14  43.209% * 67.3911% (1.00  10.0 10.00   3.31  43.23) =  79.010%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.38 +/- 0.13  55.406% * 13.5457% (0.20  10.0 10.00   3.16  48.33) =  20.364%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.19 +/- 0.91   1.327% * 17.3737% (0.26   1.0 10.00   2.21   0.82) =   0.626%  kept
        T QG    GLU-  14 - HG3   MET   11   9.45 +/- 1.33   0.025% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.49 +/- 1.34   0.021% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.67 +/- 1.43   0.006% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  19.79 +/- 3.89   0.000% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  16.20 +/- 2.82   0.001% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  12.26 +/- 1.70   0.005% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  17.53 +/- 1.61   0.000% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  21.25 +/- 1.62   0.000% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.88 +/- 1.75   0.000% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  22.72 +/- 1.78   0.000% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.84 +/- 2.87   0.000% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.60 +/- 1.46   0.000% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.32 +/- 1.82   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  28.64 +/- 2.47   0.000% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  35.03 +/- 2.89   0.000% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  31.70 +/- 2.52   0.000% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.12 +/- 1.76   0.000% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  31.47 +/- 1.71   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.95 +/- 2.55   0.000% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.6:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 71.8618% (1.00  10.0 10.00   4.00  43.23) =  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  48.33) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.78 +/- 1.47   0.002% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.72 +/- 1.38   0.002% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  13.93 +/- 2.71   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  18.58 +/- 3.04   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.05 +/- 2.00   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  39.52 +/- 2.56   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.87 +/- 2.24   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  26.97 +/- 2.47   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.74 +/- 2.56   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.30 +/- 1.90   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  30.22 +/- 2.87   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  34.51 +/- 2.02   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.40 +/- 1.34   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.10 +/- 2.23   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 = 0.907, support = 3.37, residual support = 43.8:
    * O T HA    MET   11 - QB    MET   11   2.27 +/- 0.11  51.193% * 85.1002% (1.00  10.0 10.00   3.37  43.23) =  89.218%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.43 +/- 0.53  46.361% * 11.3536% (0.13  10.0 10.00   3.36  48.33) =  10.779%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.86 +/- 0.59   0.773% *  0.0843% (0.10   1.0 10.00   0.02   0.82) =   0.001%
          HA    ALA   12 - QB    MET   11   4.12 +/- 0.13   1.447% *  0.0448% (0.53   1.0  1.00   0.02  12.22) =   0.001%
        T HA    GLU-  14 - QB    MET   11   9.27 +/- 0.88   0.014% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.54 +/- 0.95   0.013% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.51 +/- 0.71   0.141% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.42 +/- 1.39   0.005% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.44 +/- 1.78   0.025% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.88 +/- 1.08   0.019% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.04 +/- 0.89   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.75 +/- 1.02   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.92 +/- 1.26   0.005% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.54 +/- 2.01   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.85 +/- 1.44   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  18.33 +/- 2.57   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  16.98 +/- 1.31   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  30.49 +/- 2.10   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  19.02 +/- 4.24   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.50 +/- 1.43   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  18.17 +/- 3.47   0.000% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.23 +/- 3.68   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.84 +/- 1.43   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  17.48 +/- 2.44   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.51 +/- 2.03   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  25.93 +/- 0.74   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.30 +/- 1.24   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.25 +/- 1.09   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.84 +/- 1.39   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.23 +/- 0.85   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  18.63 +/- 1.59   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  24.61 +/- 2.33   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.01 +/- 1.25   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.36 +/- 3.90   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.68 +/- 2.74   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.11 +/- 0.72   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  32.06 +/- 1.73   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.77 +/- 1.48   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  33.31 +/- 3.20   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.66 +/- 1.85   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  25.98 +/- 2.40   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.45 +/- 1.68   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.72 +/- 2.12   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  27.44 +/- 0.67   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  27.96 +/- 1.08   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  34.43 +/- 2.77   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.02 +/- 1.60   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.35 +/- 2.05   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.857, support = 3.27, residual support = 44.0:
    * O T HG2   MET   11 - QB    MET   11   2.27 +/- 0.15  54.403% * 62.8007% (1.00  10.0 10.00   3.31  43.23) =  78.903%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.37 +/- 0.15  43.533% * 20.3350% (0.32  10.0 10.00   3.16  48.33) =  20.445%  kept
        T HB2   GLU-  14 - QG    GLU-  15   4.92 +/- 0.92   1.868% * 15.1066% (0.24   1.0 10.00   2.32   0.82) =   0.652%  kept
        T HB2   GLU-  14 - QB    MET   11   9.81 +/- 1.06   0.013% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.72 +/- 1.15   0.015% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   8.34 +/- 2.05   0.158% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.83 +/- 1.48   0.004% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  15.77 +/- 2.79   0.001% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  20.48 +/- 3.80   0.000% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.09 +/- 2.59   0.003% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  16.10 +/- 3.25   0.001% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.49 +/- 0.96   0.000% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.24 +/- 1.55   0.000% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  23.78 +/- 2.07   0.000% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  22.99 +/- 1.48   0.000% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.37 +/- 1.77   0.000% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.82 +/- 2.51   0.000% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.21 +/- 1.49   0.000% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.55 +/- 1.78   0.000% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  32.77 +/- 1.54   0.000% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.70 +/- 2.16   0.000% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.59 +/- 1.78   0.000% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  20.01 +/- 2.37   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.46 +/- 2.26   0.000% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  35.20 +/- 2.34   0.000% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  30.69 +/- 1.99   0.000% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  22.15 +/- 1.51   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.52 +/- 1.69   0.000% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  35.19 +/- 2.18   0.000% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  32.96 +/- 2.16   0.000% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.38 +/- 1.34   0.000% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.97 +/- 1.30   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.804, support = 3.27, residual support = 44.7:
    * O T HG3   MET   11 - QB    MET   11   2.48 +/- 0.14  43.200% * 75.1074% (1.00  10.0 10.00   3.31  43.23) =  71.751%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.38 +/- 0.13  55.394% * 23.0568% (0.31  10.0 10.00   3.16  48.33) =  28.244%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.19 +/- 0.91   1.327% *  0.1713% (0.23   1.0 10.00   0.02   0.82) =   0.005%
        T HB3   GLU-  14 - QB    MET   11   9.49 +/- 1.34   0.021% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.45 +/- 1.33   0.025% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.67 +/- 1.43   0.006% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  16.20 +/- 2.82   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.73 +/- 1.56   0.011% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  19.79 +/- 3.89   0.000% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.54 +/- 1.57   0.007% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.24 +/- 1.64   0.003% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.82 +/- 0.97   0.000% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.01 +/- 0.48   0.003% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.00 +/- 1.57   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.76 +/- 2.10   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.73 +/- 1.08   0.001% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.98 +/- 1.29   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.15 +/- 1.13   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.72 +/- 1.66   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.16 +/- 1.13   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.68 +/- 1.68   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  20.66 +/- 2.10   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.75 +/- 1.45   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.62 +/- 1.88   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.99 +/- 1.07   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.17 +/- 1.88   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.92 +/- 1.61   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.42 +/- 1.01   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.3:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.998% * 99.1918% (0.82  10.0 10.00   2.00  12.31) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  16.88 +/- 2.42   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.18 +/- 2.32   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  20.60 +/- 2.16   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.97 +/- 1.45   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.43 +/- 1.51   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  21.11 +/- 0.99   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.02 +/- 3.35   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.00 +/- 1.63   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.86 +/- 3.69   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.44 +/- 1.61   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  35.58 +/- 2.60   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.99 +/- 1.67   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.3:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.605% * 99.5569% (0.82  10.0 10.00   2.00  12.31) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.80 +/- 0.13   3.058% *  0.0286% (0.24   1.0  1.00   0.02  12.22) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.88 +/- 0.78   0.336% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.74 +/- 1.74   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.06 +/- 2.79   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.17 +/- 1.31   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.35 +/- 3.07   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.97 +/- 3.41   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.72 +/- 1.49   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.937, support = 2.01, residual support = 10.1:
    * O T QB    SER   13 - HA    SER   13   2.41 +/- 0.14  76.972% * 64.9056% (1.00  10.0 10.00   1.93   7.71) =  87.334%  kept
      O T HB3   SER   37 - HA    SER   37   2.98 +/- 0.09  22.083% * 32.8086% (0.51  10.0 10.00   2.57  26.26) =  12.665%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.64   0.642% *  0.0346% (0.53   1.0  1.00   0.02   2.94) =   0.000%
          HA    ILE   89 - HA    THR   46   9.21 +/- 1.56   0.198% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.73 +/- 3.11   0.011% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  14.12 +/- 3.30   0.010% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.86 +/- 1.42   0.062% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.84 +/- 2.56   0.006% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.02 +/- 0.53   0.009% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.09 +/- 1.40   0.003% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.76 +/- 0.84   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.63 +/- 1.10   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.90 +/- 0.69   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  15.82 +/- 2.24   0.002% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.83 +/- 0.92   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  18.75 +/- 0.77   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.30 +/- 1.69   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  26.48 +/- 2.24   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.59 +/- 2.88   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.68 +/- 2.52   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.11 +/- 0.71   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.89 +/- 1.77   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.02 +/- 2.06   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.97 +/- 1.70   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.938, support = 2.02, residual support = 10.2:
    * O T HA    SER   13 - QB    SER   13   2.41 +/- 0.14  77.102% * 63.8850% (1.00  10.0 10.00   1.93   7.71) =  86.804%  kept
      O T HA    SER   37 - HB3   SER   37   2.98 +/- 0.09  22.149% * 33.8056% (0.53  10.0 10.00   2.57  26.26) =  13.195%  kept
          HA    GLU-  15 - QB    SER   13   6.74 +/- 0.96   0.253% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.73 +/- 3.11   0.011% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   5.91 +/- 0.16   0.367% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.12 +/- 3.30   0.010% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.04 +/- 0.42   0.059% *  0.0565% (0.88   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.36 +/- 1.82   0.012% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.67 +/- 0.79   0.011% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.93 +/- 1.49   0.021% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.88 +/- 2.15   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.46 +/- 1.17   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.63 +/- 1.10   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.90 +/- 0.69   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.88 +/- 1.29   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.17 +/- 2.94   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.27 +/- 4.28   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  22.66 +/- 6.34   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.73 +/- 1.41   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.12 +/- 1.84   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.28 +/- 1.09   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.26 +/- 1.60   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.963, support = 3.02, residual support = 48.0:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.81 +/- 0.17  85.825% * 70.8449% (1.00  10.0 10.00   2.96  48.33) =  93.968%  kept
      O T HG2   MET   11 - HA    MET   11   3.91 +/- 0.30  14.068% * 27.7398% (0.39  10.0 10.00   4.00  43.23) =   6.031%  kept
        T HG2   MET   11 - HA    GLU-  14  10.53 +/- 1.00   0.040% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.83 +/- 0.82   0.032% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  12.78 +/- 2.93   0.027% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  18.14 +/- 3.98   0.004% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  16.85 +/- 1.70   0.002% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.85 +/- 1.28   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.30 +/- 1.84   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.92 +/- 1.76   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.91 +/- 1.93   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.43 +/- 2.84   0.001% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.05 +/- 1.87   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.84 +/- 2.48   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.47 +/- 2.08   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  34.34 +/- 2.11   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.848, support = 3.35, residual support = 46.7:
    * O T QG    GLU-  14 - HA    GLU-  14   2.43 +/- 0.53  47.017% * 45.0668% (1.00  10.0 10.00   3.36  48.33) =  79.198%  kept
      O T QB    MET   11 - HA    MET   11   2.27 +/- 0.11  52.159% * 10.0127% (0.22  10.0 10.00   3.37  43.23) =  19.520%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.86 +/- 0.59   0.788% * 43.4925% (0.97   1.0 10.00   2.78   0.82) =   1.282%  kept
        T QB    MET   11 - HA    GLU-  14   9.27 +/- 0.88   0.014% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.54 +/- 0.95   0.013% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.42 +/- 1.39   0.005% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.97 +/- 1.22   0.003% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.38 +/- 1.12   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  17.55 +/- 1.76   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.71 +/- 1.49   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.61 +/- 1.48   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.02 +/- 1.55   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.00 +/- 2.85   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  23.04 +/- 2.61   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  28.89 +/- 2.15   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.16 +/- 2.07   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  34.92 +/- 2.97   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  38.34 +/- 2.05   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.976, support = 2.97, residual support = 48.0:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.81 +/- 0.17  80.522% * 81.8279% (1.00  10.0 10.00   2.96  48.33) =  97.176%  kept
      O T HA    MET   11 - HG2   MET   11   3.91 +/- 0.30  13.226% * 12.5976% (0.15  10.0 10.00   4.00  43.23) =   2.457%  kept
          HA    ALA   12 - HG2   MET   11   4.62 +/- 0.82   5.800% *  4.2785% (0.37   1.0  1.00   2.85  12.22) =   0.366%
          HA    ALA   12 - HB2   GLU-  14   7.45 +/- 1.01   0.366% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.53 +/- 1.00   0.038% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   GLU-  14  10.83 +/- 0.82   0.029% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.97 +/- 1.77   0.009% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.39 +/- 1.13   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.40 +/- 2.11   0.006% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.30 +/- 1.84   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.18 +/- 1.71   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.36 +/- 2.59   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.16 +/- 1.51   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.05 +/- 3.61   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.56 +/- 2.93   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.95 +/- 1.36   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  27.32 +/- 2.94   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.95 +/- 1.88   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.08 +/- 3.07   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.39 +/- 1.35   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.84 +/- 2.48   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.86 +/- 2.49   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.20 +/- 1.50   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.56 +/- 3.30   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.67 +/- 1.92   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.56 +/- 2.34   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.28 +/- 2.23   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.71 +/- 4.14   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.05 +/- 1.68   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  36.64 +/- 3.55   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.839, support = 3.16, residual support = 45.8:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.37 +/- 0.15  43.396% * 45.4322% (1.00  10.0 10.00   3.16  48.33) =  76.532%  kept
      O T QB    MET   11 - HG2   MET   11   2.27 +/- 0.15  54.269% *  9.6322% (0.21  10.0 10.00   3.31  43.23) =  20.291%  kept
        T QG    GLU-  15 - HB2   GLU-  14   4.92 +/- 0.92   1.867% * 43.8452% (0.97   1.0 10.00   2.32   0.82) =   3.177%  kept
        T QB    MET   11 - HB2   GLU-  14   9.81 +/- 1.06   0.013% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.72 +/- 1.15   0.015% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.83 +/- 1.48   0.004% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54   9.62 +/- 2.64   0.426% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.86 +/- 1.53   0.004% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.08 +/- 1.89   0.001% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.12 +/- 1.92   0.003% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.12 +/- 1.23   0.000% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.62 +/- 2.19   0.001% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.02 +/- 1.90   0.001% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.99 +/- 1.48   0.000% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  23.78 +/- 2.07   0.000% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.05 +/- 1.67   0.000% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.27 +/- 1.62   0.000% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.39 +/- 1.60   0.000% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.47 +/- 2.80   0.000% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.04 +/- 1.63   0.000% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.82 +/- 2.51   0.000% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  23.98 +/- 2.28   0.000% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  28.73 +/- 1.90   0.000% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.38 +/- 1.55   0.000% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.28 +/- 2.93   0.000% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.10 +/- 2.45   0.000% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  38.52 +/- 2.67   0.000% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.889, support = 3.36, residual support = 47.7:
    * O T HA    GLU-  14 - QG    GLU-  14   2.43 +/- 0.53  46.374% * 85.4905% (1.00  10.0 10.00   3.36  48.33) =  87.146%  kept
      O T HA    MET   11 - QB    MET   11   2.27 +/- 0.11  51.213% * 11.4057% (0.13  10.0 10.00   3.37  43.23) =  12.840%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.86 +/- 0.59   0.773% *  0.7522% (0.88   1.0 10.00   0.02   0.82) =   0.013%
          HA    ALA   12 - QB    MET   11   4.12 +/- 0.13   1.447% *  0.0272% (0.32   1.0  1.00   0.02  12.22) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.51 +/- 0.71   0.141% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.54 +/- 0.95   0.013% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.27 +/- 0.88   0.014% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.42 +/- 1.39   0.005% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.88 +/- 1.08   0.019% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.04 +/- 0.89   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.75 +/- 1.02   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.48 +/- 1.56   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  16.98 +/- 1.31   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.68 +/- 2.74   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.36 +/- 1.80   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.77 +/- 1.48   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.85 +/- 1.44   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.23 +/- 3.68   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.50 +/- 1.43   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  24.83 +/- 3.07   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.25 +/- 1.09   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.30 +/- 1.24   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  24.61 +/- 2.33   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  22.33 +/- 1.68   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.94 +/- 2.20   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  33.31 +/- 3.20   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.51 +/- 2.03   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.36 +/- 3.90   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  32.06 +/- 1.73   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  32.47 +/- 3.44   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.866, support = 3.19, residual support = 47.3:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.38 +/- 0.13  55.402% * 74.4402% (1.00  10.0 10.00   3.16  48.33) =  80.669%  kept
      O T HG3   MET   11 - QB    MET   11   2.48 +/- 0.14  43.207% * 22.8520% (0.31  10.0 10.00   3.31  43.23) =  19.313%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.19 +/- 0.91   1.327% *  0.6550% (0.88   1.0 10.00   0.02   0.82) =   0.017%
        T HG3   MET   11 - QG    GLU-  14   9.45 +/- 1.33   0.025% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.49 +/- 1.34   0.021% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.67 +/- 1.43   0.006% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.73 +/- 1.56   0.011% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.00 +/- 1.57   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  16.82 +/- 0.97   0.000% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.15 +/- 1.13   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.98 +/- 1.29   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.16 +/- 1.13   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.72 +/- 1.66   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.68 +/- 1.68   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.76 +/- 2.10   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.75 +/- 1.45   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.62 +/- 1.88   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.17 +/- 1.88   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.999, support = 2.14, residual support = 11.0:
    * O T QG    GLU-  15 - HA    GLU-  15   2.53 +/- 0.50  95.960% * 49.8424% (1.00  10.0 10.00   2.12  11.38) =  96.490%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.98 +/- 0.60   3.616% * 48.1014% (0.97   1.0 10.00   2.69   0.82) =   3.509%  kept
          HB3   PHE   72 - HA    GLU-  15   7.87 +/- 1.13   0.287% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  10.96 +/- 1.48   0.024% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.17 +/- 0.94   0.016% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.90 +/- 1.56   0.004% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  10.46 +/- 0.47   0.036% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.32 +/- 1.92   0.010% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  17.04 +/- 2.11   0.004% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.63 +/- 0.84   0.007% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.44 +/- 0.53   0.007% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.05 +/- 2.18   0.001% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.57 +/- 3.60   0.005% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  21.17 +/- 3.01   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.00 +/- 1.87   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.54 +/- 1.23   0.003% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  15.62 +/- 0.54   0.003% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.23 +/- 0.81   0.001% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.73 +/- 0.73   0.003% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.82 +/- 0.38   0.009% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  23.85 +/- 2.27   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.48 +/- 0.57   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  23.14 +/- 0.76   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.93 +/- 3.48   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  25.73 +/- 1.75   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  24.75 +/- 0.55   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  29.50 +/- 0.84   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 11.4:
    * O T QB    GLU-  15 - HA    GLU-  15   2.41 +/- 0.14  97.689% * 95.2027% (1.00  10.0 10.00   3.00  11.38) =  99.992%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.80 +/- 0.59   0.744% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   68 - HA    GLU-  15  10.37 +/- 2.54   0.060% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.90 +/- 1.74   0.594% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.43 +/- 1.35   0.012% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU-  15   8.10 +/- 0.69   0.081% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.05 +/- 1.27   0.005% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.73 +/- 2.10   0.686% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  15.99 +/- 0.71   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  11.40 +/- 1.83   0.015% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.13 +/- 2.18   0.011% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  11.56 +/- 1.33   0.010% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  11.91 +/- 0.80   0.008% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.22 +/- 0.99   0.022% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.33 +/- 1.30   0.007% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.36 +/- 1.11   0.011% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.64 +/- 0.74   0.009% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.14 +/- 0.62   0.020% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  14.15 +/- 1.60   0.003% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.87 +/- 1.24   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.92 +/- 1.04   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.44 +/- 0.58   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.28 +/- 0.61   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.82 +/- 3.89   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.51 +/- 2.12   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.81 +/- 1.87   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.66 +/- 0.82   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.35 +/- 1.26   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  19.87 +/- 2.44   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.88 +/- 1.32   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  20.08 +/- 0.95   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.70 +/- 1.70   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.47 +/- 1.93   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.94 +/- 1.45   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.22 +/- 2.06   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  25.32 +/- 3.70   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.999, support = 2.13, residual support = 11.4:
    * O T HA    GLU-  15 - QG    GLU-  15   2.53 +/- 0.50  88.262% * 86.1412% (1.00  10.0 10.00   2.12  11.38) =  99.439%  kept
          HA    SER   13 - QG    GLU-  14   4.75 +/- 0.64   4.039% * 10.0113% (0.88   1.0  1.00   2.64   6.67) =   0.529%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.98 +/- 0.60   2.707% *  0.7579% (0.88   1.0 10.00   0.02   0.82) =   0.027%
          HA    SER   13 - QG    GLU-  15   5.90 +/- 1.28   3.956% *  0.0861% (1.00   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - QG    GLU-  15  10.96 +/- 1.48   0.019% *  0.8149% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   7.06 +/- 0.52   0.273% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.48 +/- 0.55   0.495% *  0.0208% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.40 +/- 2.17   0.096% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   8.72 +/- 0.84   0.072% *  0.0429% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.17 +/- 0.94   0.013% *  0.2077% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.90 +/- 1.56   0.003% *  0.7170% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.32 +/- 1.92   0.007% *  0.1918% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  14.04 +/- 2.71   0.031% *  0.0429% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  17.04 +/- 2.11   0.003% *  0.1687% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.44 +/- 1.05   0.002% *  0.0860% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  17.04 +/- 5.08   0.004% *  0.0294% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.05 +/- 2.18   0.001% *  0.1964% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.92 +/- 1.59   0.001% *  0.0756% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.20 +/- 1.50   0.005% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.47 +/- 3.32   0.005% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  18.93 +/- 0.92   0.001% *  0.0557% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.27 +/- 1.45   0.001% *  0.0490% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  21.17 +/- 3.01   0.001% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.20 +/- 1.16   0.002% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.38 +/- 3.88   0.001% *  0.0259% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  20.13 +/- 0.90   0.001% *  0.0215% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.10 +/- 1.55   0.001% *  0.0103% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.06 +/- 1.43   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.17 +/- 1.74   0.000% *  0.0207% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.00 +/- 4.27   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.92 +/- 1.77   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.19 +/- 2.07   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.68 +/- 1.58   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HB2   GLN   17 - HA    GLN   17   2.59 +/- 0.16  99.310% * 97.7872% (1.00  10.0 10.00   4.00  84.37) =  99.995%  kept
        T QB    GLU-  15 - HA    GLN   17   6.57 +/- 0.16   0.392% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HA    GLN   17  10.21 +/- 2.52   0.135% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   8.29 +/- 0.43   0.103% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.82 +/- 1.83   0.043% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.58 +/- 1.29   0.006% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.16 +/- 0.68   0.006% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  15.53 +/- 2.06   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  18.59 +/- 1.58   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  21.40 +/- 0.70   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.18 +/- 1.60   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.94 +/- 1.44   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HA    GLN   17   2.81 +/- 0.53  99.769% * 98.5118% (0.76  10.0 10.00   4.31  84.37) =  99.998%  kept
        T HB    VAL   70 - HA    GLN   17   9.08 +/- 1.11   0.218% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLN   17  15.98 +/- 0.56   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  16.72 +/- 1.33   0.004% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  17.63 +/- 1.33   0.003% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.00 +/- 1.50   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.88 +/- 0.60   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.199, support = 3.51, residual support = 49.0:
    * O T HA    GLN   17 - HB2   GLN   17   2.59 +/- 0.16  39.810% * 57.9333% (0.24  10.0 10.00   4.00  84.37) =  51.496%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.41 +/- 0.14  58.997% * 36.8149% (0.15  10.0 10.00   3.00  11.38) =  48.496%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.80 +/- 0.59   0.475% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   17 - QB    GLU-  15   6.57 +/- 0.16   0.145% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - HB3   PRO   68  10.21 +/- 2.52   0.046% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB3   PRO   68  10.37 +/- 2.54   0.037% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - QB    GLU-  15   5.60 +/- 0.44   0.439% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.43 +/- 1.35   0.007% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.05 +/- 1.27   0.003% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  11.13 +/- 1.77   0.012% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  13.74 +/- 3.12   0.006% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.39 +/- 0.91   0.006% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  12.06 +/- 1.41   0.005% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  15.99 +/- 0.71   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.41 +/- 0.98   0.003% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.27 +/- 0.83   0.001% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.25 +/- 1.80   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.60 +/- 0.50   0.002% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.72 +/- 1.66   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  15.70 +/- 1.46   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.07 +/- 0.90   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.50 +/- 1.50   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.12 +/- 0.94   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.71 +/- 1.50   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HB2   GLN   17   2.35 +/- 0.12  98.446% * 84.9728% (0.18  10.0 10.00   4.31  84.37) =  99.978%  kept
        T QG    GLN   17 - QB    GLU-  15   5.22 +/- 0.68   1.127% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.013%
        T HB    VAL   70 - HB3   PRO   68   7.44 +/- 1.18   0.145% *  2.3301% (0.51   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLN   17 - HB3   PRO   68  10.09 +/- 2.65   0.095% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - QB    GLU-  15   7.52 +/- 1.19   0.166% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   GLN   17  11.08 +/- 1.04   0.010% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.61 +/- 2.65   0.001% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.91 +/- 1.63   0.002% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  18.77 +/- 0.90   0.000% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.71 +/- 0.89   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.82 +/- 2.28   0.002% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.30 +/- 1.56   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.38 +/- 1.00   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.78 +/- 1.04   0.000% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  15.82 +/- 1.78   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.01 +/- 0.70   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  27.49 +/- 1.65   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  18.76 +/- 0.94   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  17.95 +/- 1.68   0.001% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  19.56 +/- 1.23   0.000% *  0.0379% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  25.20 +/- 1.67   0.000% *  0.1579% (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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T HA    GLN   17 - QG    GLN   17   2.81 +/- 0.53  67.807% * 99.2429% (0.76  10.0 10.00   4.31  84.37) =  99.973%  kept
          HA    GLU-  15 - QG    GLN   17   4.15 +/- 1.15  31.310% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.026%
        T HA    GLN   17 - HB    VAL   70   9.08 +/- 1.11   0.092% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   8.96 +/- 0.96   0.102% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.91 +/- 0.74   0.350% *  0.0076% (0.06   1.0  1.00   0.02  36.69) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.81 +/- 0.73   0.175% *  0.0123% (0.09   1.0  1.00   0.02   1.23) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.11 +/- 1.24   0.108% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  11.66 +/- 1.72   0.014% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.62 +/- 0.92   0.011% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.86 +/- 1.93   0.004% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.31 +/- 1.11   0.003% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.16 +/- 1.24   0.006% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.57 +/- 1.05   0.009% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.59 +/- 1.63   0.005% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  15.89 +/- 1.29   0.002% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.46 +/- 0.93   0.001% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T HB2   GLN   17 - QG    GLN   17   2.35 +/- 0.12  97.437% * 95.9708% (0.76  10.0 10.00   4.31  84.37) =  99.987%  kept
        T QB    GLU-  15 - QG    GLN   17   5.22 +/- 0.68   1.116% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   PRO   68 - QG    GLN   17  10.09 +/- 2.65   0.095% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    GLU-  15 - HB    VAL   70   7.52 +/- 1.19   0.165% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.44 +/- 1.18   0.143% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLN   17   7.55 +/- 1.48   0.183% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.73 +/- 1.90   0.768% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.08 +/- 1.04   0.010% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.90 +/- 2.04   0.026% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.89 +/- 2.17   0.011% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.64 +/- 1.63   0.000% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.06 +/- 1.73   0.005% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.84 +/- 1.66   0.009% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.62 +/- 0.71   0.013% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  19.56 +/- 1.40   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  18.65 +/- 1.29   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.77 +/- 1.35   0.003% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.59 +/- 0.83   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  14.12 +/- 3.60   0.007% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.22 +/- 2.15   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.14 +/- 1.01   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.01 +/- 1.51   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.79 +/- 1.47   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  21.05 +/- 2.37   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.0:
    * O T HB    VAL   18 - HA    VAL   18   2.60 +/- 0.31  99.705% * 99.6862% (1.00  10.0 10.00   3.44  77.00) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   7.32 +/- 1.02   0.277% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.88 +/- 2.10   0.004% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  12.50 +/- 0.86   0.009% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.54 +/- 1.17   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.47 +/- 1.53   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.0:
    * O T QG1   VAL   18 - HA    VAL   18   2.50 +/- 0.25  99.489% * 98.7319% (1.00  10.0 10.00   4.00  77.00) =  99.998%  kept
        T QG1   VAL   70 - HA    VAL   18   8.25 +/- 1.16   0.213% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    VAL   18   7.37 +/- 0.68   0.223% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   9.38 +/- 1.08   0.060% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.33 +/- 2.78   0.010% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  16.25 +/- 1.84   0.004% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.16 +/- 0.80   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 4.01, residual support = 75.8:
    * O T QG2   VAL   18 - HA    VAL   18   2.84 +/- 0.42  87.480% * 85.2460% (1.00  10.0 10.00   4.00  77.00) =  97.893%  kept
          QD1   ILE   19 - HA    VAL   18   4.95 +/- 0.92  11.933% * 13.4386% (0.73   1.0  1.00   4.34  22.21) =   2.105%  kept
        T QG1   VAL   41 - HA    VAL   18   8.50 +/- 0.94   0.220% *  0.6515% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    VAL   18   8.25 +/- 0.79   0.257% *  0.0787% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.59 +/- 1.11   0.092% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.02 +/- 1.07   0.006% *  0.4826% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.02 +/- 0.93   0.013% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.0:
    * O T HA    VAL   18 - HB    VAL   18   2.60 +/- 0.31  99.961% * 99.3791% (1.00  10.0 10.00   3.44  77.00) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  10.93 +/- 1.35   0.020% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.39 +/- 1.93   0.005% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  20.41 +/- 3.32   0.005% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  15.84 +/- 2.34   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.42 +/- 0.85   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.32 +/- 0.91   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  16.86 +/- 1.61   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.25 +/- 0.88   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.76 +/- 0.95   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.0:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  99.925% * 99.5994% (1.00  10.0 10.00   3.44  77.00) = 100.000%  kept
          QG1   VAL   70 - HB    VAL   18   9.50 +/- 1.40   0.022% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   8.90 +/- 1.24   0.029% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   9.18 +/- 0.62   0.017% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  12.90 +/- 2.80   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  15.54 +/- 1.78   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  17.93 +/- 1.64   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 77.0:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  99.738% * 98.4101% (1.00  10.0 10.00   3.23  77.00) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.57 +/- 0.74   0.166% *  0.0715% (0.73   1.0  1.00   0.02  22.21) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  10.18 +/- 1.21   0.011% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.40 +/- 1.36   0.056% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.09 +/- 1.23   0.027% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  15.90 +/- 1.46   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.53 +/- 1.21   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.0:
    * O T HA    VAL   18 - QG1   VAL   18   2.50 +/- 0.25  99.903% * 97.2871% (1.00  10.0 10.00   4.00  77.00) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.48 +/- 1.03   0.042% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  11.70 +/- 1.42   0.018% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.07 +/- 0.53   0.002% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  15.68 +/- 2.72   0.012% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.27 +/- 0.83   0.005% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.70 +/- 0.94   0.004% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  13.73 +/- 1.67   0.005% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.38 +/- 1.26   0.006% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.61 +/- 0.97   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.0:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  99.915% * 99.6862% (1.00  10.0 10.00   3.44  77.00) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   7.81 +/- 1.15   0.066% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  12.97 +/- 1.84   0.008% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.84 +/- 1.15   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.77 +/- 1.22   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  12.76 +/- 1.19   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.0:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.05  98.940% * 98.4101% (1.00  10.0 10.00   4.00  77.00) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.08 +/- 0.55   0.582% *  0.0715% (0.73   1.0  1.00   0.02  22.21) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   7.88 +/- 1.10   0.043% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG1   VAL   18   6.01 +/- 0.93   0.239% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   6.51 +/- 1.12   0.190% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  12.98 +/- 1.25   0.002% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.82 +/- 1.10   0.006% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.0:
    * O T HA    VAL   18 - QG2   VAL   18   2.84 +/- 0.42  95.460% * 97.9277% (1.00  10.0 10.00   4.00  77.00) =  99.996%  kept
        T HA    VAL   18 - QG1   VAL   41   8.50 +/- 0.94   0.248% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QG1   VAL   41   5.90 +/- 0.89   1.972% *  0.0514% (0.52   1.0  1.00   0.02   2.72) =   0.001%
          HA    LYS+  33 - QG1   VAL   41   6.50 +/- 0.39   0.952% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   41   6.68 +/- 0.59   0.883% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   8.28 +/- 0.59   0.230% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.72 +/- 0.66   0.077% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.31 +/- 1.58   0.026% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.05 +/- 1.49   0.016% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.02 +/- 1.07   0.006% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.05 +/- 0.90   0.006% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.07 +/- 0.77   0.006% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.46 +/- 0.83   0.050% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.53 +/- 1.30   0.014% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  16.78 +/- 1.44   0.003% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  17.24 +/- 2.54   0.004% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.87 +/- 0.75   0.002% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.64 +/- 2.41   0.003% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.28 +/- 0.78   0.004% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.62 +/- 0.85   0.003% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.91 +/- 1.24   0.006% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.21 +/- 2.38   0.008% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.92 +/- 0.81   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.89 +/- 1.32   0.010% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.78 +/- 1.23   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.09 +/- 1.36   0.003% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.70 +/- 1.11   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.22 +/- 1.69   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.09 +/- 0.96   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.62 +/- 1.02   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 77.0:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  99.337% * 98.5012% (1.00  10.0 10.00   3.23  77.00) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.57 +/- 0.33   0.325% *  0.0257% (0.26   1.0  1.00   0.02  19.76) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  10.18 +/- 1.21   0.011% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.02 +/- 0.69   0.092% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.60 +/- 1.08   0.192% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.56 +/- 0.89   0.014% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.44 +/- 1.75   0.009% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  10.57 +/- 1.11   0.008% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.33 +/- 1.22   0.003% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  15.90 +/- 1.46   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.41 +/- 0.66   0.003% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.59 +/- 1.85   0.004% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.38 +/- 1.72   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.28 +/- 1.98   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.61 +/- 1.66   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.82 +/- 1.12   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.26 +/- 1.59   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  21.17 +/- 1.30   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 80.1:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.05  74.798% * 90.9635% (1.00  10.0 10.00   4.00  77.00) =  97.822%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.59 +/- 0.31  22.234% *  6.8036% (0.07  10.0 10.00   5.45 218.35) =   2.175%  kept
          QD1   LEU   71 - QG1   VAL   41   4.34 +/- 1.27   2.554% *  0.0581% (0.64   1.0  1.00   0.02   3.02) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41   7.88 +/- 1.10   0.033% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.00 +/- 0.69   0.177% *  0.0681% (0.75   1.0  1.00   0.02   2.72) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.44 +/- 1.03   0.064% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.35 +/- 1.17   0.031% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41  10.41 +/- 0.93   0.005% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.25 +/- 0.69   0.022% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.99 +/- 1.08   0.031% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.82 +/- 1.64   0.005% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.54 +/- 1.78   0.025% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.98 +/- 1.25   0.001% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.43 +/- 0.90   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.74 +/- 1.21   0.003% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.65 +/- 3.22   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  12.90 +/- 1.73   0.004% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.03 +/- 3.45   0.004% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.36 +/- 1.40   0.002% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.15 +/- 0.94   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.05 +/- 0.44   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.9:
    * O T HB    ILE   19 - HA    ILE   19   2.98 +/- 0.06  97.741% * 98.7896% (1.00  10.0 10.00   5.75 175.90) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.76 +/- 0.45   2.036% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.48 +/- 0.44   0.197% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.67 +/- 0.70   0.007% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.75 +/- 1.28   0.005% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  15.31 +/- 2.09   0.009% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  20.39 +/- 1.36   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  18.43 +/- 1.31   0.002% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.03 +/- 1.45   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.18 +/- 1.57   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 175.9:
    * O T HG12  ILE   19 - HA    ILE   19   3.57 +/- 0.37  90.338% * 98.1529% (1.00  10.0 10.00   6.31 175.90) =  99.989%  kept
        T HG    LEU   73 - HA    ILE   19   7.44 +/- 0.49   1.302% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.005%
          HB3   LYS+  74 - HA    ILE   19   5.57 +/- 0.64   7.714% *  0.0556% (0.57   1.0  1.00   0.02   8.65) =   0.005%
        T HG    LEU   80 - HA    ILE   19  12.86 +/- 1.01   0.052% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    ILE   19   9.54 +/- 1.19   0.359% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  11.39 +/- 1.10   0.116% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  13.79 +/- 0.79   0.034% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.29 +/- 0.96   0.027% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  13.39 +/- 1.10   0.042% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  17.82 +/- 2.59   0.009% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.05 +/- 3.30   0.003% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.03 +/- 2.19   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.21 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.9:
    * O T HG13  ILE   19 - HA    ILE   19   2.67 +/- 0.47  99.352% * 98.2804% (1.00  10.0 10.00   5.75 175.90) =  99.998%  kept
        T HG    LEU   71 - HA    ILE   19   8.81 +/- 1.60   0.165% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   19   7.67 +/- 0.59   0.364% *  0.0907% (0.92   1.0  1.00   0.02   8.65) =   0.000%
          QG2   THR   39 - HA    ILE   19  10.55 +/- 1.09   0.051% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.47 +/- 1.45   0.009% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.27 +/- 0.65   0.051% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.71 +/- 1.42   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  17.87 +/- 1.34   0.002% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  17.44 +/- 2.39   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.20 +/- 0.99   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  24.50 +/- 2.27   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.95, residual support = 174.7:
    *   T QD1   ILE   19 - HA    ILE   19   2.77 +/- 0.41  95.379% * 84.6269% (1.00 10.00   4.95 175.90) =  99.210%  kept
          QG2   VAL   18 - HA    ILE   19   4.99 +/- 0.47   4.244% * 15.1366% (0.73  1.00   4.93  22.21) =   0.790%  kept
          QG1   VAL   43 - HA    ILE   19   9.07 +/- 1.09   0.149% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    ILE   19   9.92 +/- 1.02   0.074% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19   9.04 +/- 1.10   0.142% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.20 +/- 1.31   0.003% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.04 +/- 1.02   0.008% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.10 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.9:
    * O T HA    ILE   19 - HB    ILE   19   2.98 +/- 0.06  99.867% * 98.6066% (1.00  10.0 10.00   5.75 175.90) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.06 +/- 0.64   0.015% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.39 +/- 0.64   0.113% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  18.81 +/- 0.88   0.002% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  17.62 +/- 1.32   0.003% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.9:
    * O T HG12  ILE   19 - HB    ILE   19   2.30 +/- 0.15  97.440% * 97.5273% (1.00  10.0 10.00   5.30 175.90) =  99.993%  kept
        T HG    LEU   73 - HB    ILE   19   4.64 +/- 0.56   1.838% *  0.3327% (0.34   1.0 10.00   0.02   4.00) =   0.006%
          HB3   LYS+  74 - HB    ILE   19   5.48 +/- 0.57   0.669% *  0.0552% (0.57   1.0  1.00   0.02   8.65) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  10.86 +/- 0.98   0.010% *  0.7082% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  11.55 +/- 1.06   0.007% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  10.46 +/- 1.15   0.016% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  10.91 +/- 1.15   0.011% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  12.35 +/- 0.81   0.005% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.46 +/- 0.88   0.002% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  17.21 +/- 2.46   0.001% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.66 +/- 3.57   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.32 +/- 2.11   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 175.9:
    * O T HG13  ILE   19 - HB    ILE   19   2.71 +/- 0.20  98.438% * 97.6364% (1.00  10.0 10.00   5.00 175.90) =  99.988%  kept
        T HG    LEU   71 - HB    ILE   19   7.36 +/- 1.70   0.914% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  74 - HB    ILE   19   7.34 +/- 0.70   0.388% *  0.9013% (0.92   1.0 10.00   0.02   8.65) =   0.004%
          QG2   THR   39 - HB    ILE   19   9.20 +/- 0.93   0.087% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.12 +/- 0.48   0.153% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.36 +/- 1.27   0.003% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.30 +/- 1.58   0.006% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  15.61 +/- 2.03   0.007% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  16.94 +/- 1.13   0.002% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.03 +/- 0.59   0.002% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  23.55 +/- 2.33   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 175.9:
    * O T QD1   ILE   19 - HB    ILE   19   3.03 +/- 0.11  94.895% * 99.6493% (1.00  10.0 10.00   4.21 175.90) =  99.997%  kept
          QG2   VAL   18 - HB    ILE   19   5.80 +/- 0.44   2.298% *  0.0724% (0.73   1.0  1.00   0.02  22.21) =   0.002%
          QG1   VAL   43 - HB    ILE   19   6.77 +/- 1.13   1.624% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB    ILE   19   6.83 +/- 0.98   1.048% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19   9.86 +/- 0.91   0.094% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.16 +/- 1.32   0.008% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  11.74 +/- 1.02   0.033% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.31 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 175.9:
    * O T HA    ILE   19 - HG12  ILE   19   3.57 +/- 0.37  95.910% * 98.8520% (1.00  10.0 10.00   6.31 175.90) =  99.994%  kept
        T HA    ILE   19 - HG    LEU   73   7.44 +/- 0.49   1.372% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.005%
          HA    GLU-  25 - HG    LEU   80   8.29 +/- 0.81   0.753% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  12.86 +/- 1.01   0.056% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.53 +/- 0.66   0.627% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.25 +/- 0.92   0.225% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.80 +/- 2.02   0.522% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.25 +/- 0.67   0.368% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  12.41 +/- 2.05   0.100% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.17 +/- 0.82   0.029% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.04 +/- 1.50   0.005% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.25 +/- 1.77   0.011% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.87 +/- 1.85   0.010% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  20.64 +/- 0.89   0.003% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.53 +/- 1.11   0.008% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.9:
    * O T HB    ILE   19 - HG12  ILE   19   2.30 +/- 0.15  97.815% * 98.3572% (1.00  10.0 10.00   5.30 175.90) =  99.994%  kept
        T HB    ILE   19 - HG    LEU   73   4.64 +/- 0.56   1.845% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.006%
          QB    GLU-  15 - HG12  ILE   19   7.33 +/- 0.75   0.124% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE   19   7.45 +/- 0.58   0.109% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  11.55 +/- 1.06   0.007% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.79 +/- 1.22   0.061% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.57 +/- 1.13   0.014% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  14.14 +/- 1.38   0.002% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.34 +/- 0.85   0.009% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.60 +/- 1.03   0.002% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  13.61 +/- 2.08   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.87 +/- 1.87   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.11 +/- 1.56   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  20.03 +/- 1.51   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.73 +/- 1.77   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.94 +/- 1.57   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  17.83 +/- 1.30   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.49 +/- 2.82   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.16 +/- 2.00   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.42 +/- 1.04   0.001% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.57 +/- 1.76   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  19.02 +/- 1.02   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.36 +/- 2.18   0.000% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  24.10 +/- 1.58   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.63 +/- 2.43   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  25.45 +/- 1.53   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  22.00 +/- 1.59   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.21 +/- 1.64   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.86 +/- 1.98   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.74 +/- 1.52   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.9:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  98.893% * 96.9096% (1.00  10.0 10.00   5.30 175.90) =  99.992%  kept
        T HG    LEU   71 - HG12  ILE   19   5.83 +/- 1.69   0.795% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.007%
        T HG13  ILE   19 - HG    LEU   73   6.32 +/- 0.81   0.070% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
        T HG    LEU   71 - HG    LEU   73   6.96 +/- 1.13   0.050% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG12  ILE   19   7.97 +/- 1.03   0.019% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   5.81 +/- 1.18   0.104% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.14 +/- 0.99   0.007% *  0.0895% (0.92   1.0  1.00   0.02   8.65) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.13 +/- 1.19   0.017% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   7.64 +/- 0.79   0.019% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.19 +/- 1.45   0.008% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.74 +/- 0.59   0.007% *  0.0292% (0.30   1.0  1.00   0.02  39.10) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  13.92 +/- 1.00   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.21 +/- 1.53   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  17.56 +/- 1.88   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.18 +/- 1.54   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  15.67 +/- 1.80   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.15 +/- 0.76   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.96 +/- 0.98   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.26 +/- 1.66   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  14.26 +/- 2.05   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.33 +/- 1.35   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  14.46 +/- 1.15   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  13.06 +/- 1.00   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.89 +/- 1.06   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  13.60 +/- 1.50   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.99 +/- 1.20   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  17.26 +/- 2.09   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.53 +/- 1.79   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.29 +/- 1.19   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.28 +/- 1.60   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  24.63 +/- 2.29   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.11 +/- 3.01   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.34 +/- 2.56   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 175.9:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.01  83.904% * 98.4260% (1.00  10.0 10.00   4.30 175.90) =  99.996%  kept
          QG1   VAL   43 - HG    LEU   73   3.95 +/- 1.19  10.977% *  0.0156% (0.16   1.0  1.00   0.02   9.17) =   0.002%
        T QD1   ILE   19 - HG    LEU   73   5.76 +/- 0.76   0.375% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.001%
          QG1   VAL   41 - HG    LEU   73   4.36 +/- 1.32   4.138% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG12  ILE   19   6.36 +/- 0.41   0.137% *  0.0715% (0.73   1.0  1.00   0.02  22.21) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   6.43 +/- 1.20   0.219% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   7.62 +/- 1.27   0.080% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  11.56 +/- 1.14   0.004% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.38 +/- 1.11   0.034% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.86 +/- 0.92   0.046% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  11.99 +/- 1.16   0.004% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.65 +/- 1.26   0.033% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.45 +/- 0.97   0.005% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.61 +/- 0.89   0.007% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  13.12 +/- 1.62   0.002% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.53 +/- 0.73   0.023% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  14.97 +/- 1.69   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.17 +/- 1.36   0.004% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.31 +/- 1.28   0.003% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.38 +/- 1.04   0.003% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.49 +/- 1.42   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.9:
    * O T HA    ILE   19 - HG13  ILE   19   2.67 +/- 0.47  99.777% * 98.6722% (1.00  10.0 10.00   5.75 175.90) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.81 +/- 1.60   0.166% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  18.79 +/- 1.26   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.91 +/- 0.77   0.036% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.96 +/- 0.61   0.005% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  22.03 +/- 1.75   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  13.54 +/- 2.36   0.011% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  17.15 +/- 2.22   0.002% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  21.18 +/- 0.92   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  23.98 +/- 1.39   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 175.9:
    * O T HB    ILE   19 - HG13  ILE   19   2.71 +/- 0.20  91.237% * 98.7569% (1.00  10.0 10.00   5.00 175.90) =  99.997%  kept
        T HB    ILE   19 - HG    LEU   71   7.36 +/- 1.70   0.874% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE   19   6.24 +/- 0.97   1.064% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   5.93 +/- 1.97   5.922% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   7.03 +/- 0.61   0.398% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  10.86 +/- 2.00   0.362% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  14.08 +/- 1.44   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  10.36 +/- 1.43   0.045% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.67 +/- 2.09   0.011% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.23 +/- 0.82   0.003% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.77 +/- 1.79   0.071% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  24.22 +/- 1.49   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  20.20 +/- 1.26   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.32 +/- 1.47   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.09 +/- 1.98   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  18.00 +/- 2.30   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.78 +/- 2.47   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.30 +/- 2.04   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.03 +/- 3.15   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.19 +/- 1.86   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.9:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.014% * 97.7565% (1.00  10.0 10.00   5.30 175.90) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   5.83 +/- 1.69   0.796% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG13  ILE   19   6.32 +/- 0.81   0.070% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
        T HG    LEU   73 - HG    LEU   71   6.96 +/- 1.13   0.050% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.22 +/- 0.64   0.023% *  0.0553% (0.57   1.0  1.00   0.02   8.65) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  13.92 +/- 1.00   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19   9.79 +/- 1.26   0.005% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  10.18 +/- 1.27   0.003% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.09 +/- 1.33   0.028% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  11.99 +/- 1.28   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.65 +/- 1.29   0.001% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  14.74 +/- 0.66   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.80 +/- 0.99   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  17.56 +/- 1.88   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  18.26 +/- 2.40   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.25 +/- 1.29   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.86 +/- 1.03   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.24 +/- 1.54   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.42 +/- 2.61   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.97 +/- 3.83   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.23 +/- 2.33   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.16 +/- 5.05   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.70 +/- 2.63   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  18.10 +/- 1.47   0.000% *  0.0107% (0.11   1.0  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 = 4.21, residual support = 175.9:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  93.678% * 99.4572% (1.00  10.0 10.00   4.21 175.90) =  99.993%  kept
        T QD1   ILE   19 - HG    LEU   71   5.45 +/- 1.80   4.305% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL   18 - HG13  ILE   19   5.76 +/- 0.57   0.300% *  0.0722% (0.73   1.0  1.00   0.02  22.21) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.26 +/- 1.65   1.509% *  0.0044% (0.04   1.0  1.00   0.02   3.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   7.41 +/- 1.30   0.101% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   8.43 +/- 1.25   0.042% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.28 +/- 1.01   0.005% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.24 +/- 0.87   0.018% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.78 +/- 0.83   0.024% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.72 +/- 1.56   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.68 +/- 1.72   0.006% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  12.88 +/- 1.12   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.05 +/- 1.10   0.007% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.89 +/- 1.19   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 175.9:
    *   T HA    ILE   19 - QD1   ILE   19   2.77 +/- 0.41  99.612% * 99.7561% (1.00 10.00   4.95 175.90) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   8.00 +/- 1.27   0.353% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.58 +/- 1.18   0.030% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  16.91 +/- 1.10   0.003% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  17.67 +/- 1.05   0.002% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 175.9:
    * O T HB    ILE   19 - QD1   ILE   19   3.03 +/- 0.11  95.138% * 99.4654% (1.00  10.0 10.00   4.21 175.90) =  99.997%  kept
          QB    GLU-  15 - QD1   ILE   19   5.92 +/- 1.04   2.701% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD1   ILE   19   6.18 +/- 0.75   2.035% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.71 +/- 1.35   0.042% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.62 +/- 1.75   0.025% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  12.23 +/- 2.32   0.049% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.04 +/- 1.21   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.53 +/- 1.46   0.003% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.21 +/- 1.55   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.57 +/- 1.29   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 175.9:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  99.391% * 97.8860% (1.00  10.0 10.00   4.30 175.90) =  99.998%  kept
        T HG    LEU   73 - QD1   ILE   19   5.76 +/- 0.76   0.414% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   6.75 +/- 0.74   0.127% *  0.0554% (0.57   1.0  1.00   0.02   8.65) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  11.56 +/- 1.14   0.005% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  10.39 +/- 1.30   0.013% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19   9.35 +/- 1.37   0.024% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19   9.70 +/- 1.35   0.018% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  12.28 +/- 0.78   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.57 +/- 1.38   0.003% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.31 +/- 2.07   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.67 +/- 3.41   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.14 +/- 2.19   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 175.8:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  95.225% * 98.6077% (1.00  10.0 10.00   4.21 175.90) =  99.959%  kept
        T HG    LEU   71 - QD1   ILE   19   5.45 +/- 1.80   4.332% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.041%
          QG2   THR   39 - QD1   ILE   19   7.16 +/- 1.36   0.265% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.95 +/- 0.91   0.139% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.43 +/- 0.71   0.032% *  0.0910% (0.92   1.0  1.00   0.02   8.65) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.27 +/- 1.85   0.002% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.85 +/- 1.34   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.70 +/- 1.27   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  16.24 +/- 0.95   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  15.50 +/- 1.59   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  21.96 +/- 1.88   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.13 +/- 0.01  99.997% * 99.6998% (1.00  10.0 10.00   2.31  15.22) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.57 +/- 0.47   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  14.87 +/- 0.67   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.82 +/- 1.91   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.01 +/- 1.67   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.04 +/- 2.47   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.84 +/- 2.07   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.13 +/- 0.01  99.990% * 99.9427% (1.00  10.0 10.00   2.31  15.22) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.13 +/- 0.61   0.009% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.44 +/- 1.11   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.75, residual support = 28.7:
    * O T HB2   CYS   21 - HA    CYS   21   2.88 +/- 0.26  99.986% * 99.9059% (1.00  10.0 10.00   2.75  28.66) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  12.97 +/- 0.51   0.014% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.81 +/- 2.36   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.46, residual support = 28.7:
    * O T HB3   CYS   21 - HA    CYS   21   2.45 +/- 0.13  99.998% * 99.9348% (0.69  10.0 10.00   2.46  28.66) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.85 +/- 1.04   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.41, residual support = 28.7:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.41  28.66) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.33 +/- 1.09   0.001% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.41, residual support = 28.7:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.41  28.66) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  12.05 +/- 0.55   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.18 +/- 2.19   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.5:
    * O T HB2   HIS   22 - HA    HIS   22   2.64 +/- 0.29  99.999% * 99.8331% (0.76  10.0 10.00   2.32  34.50) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.37 +/- 0.77   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  22.29 +/- 2.00   0.000% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HB3   HIS   22 - HA    HIS   22   2.83 +/- 0.27  99.995% * 99.9165% (0.95  10.0 10.00   3.46  34.50) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  19.05 +/- 3.18   0.005% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.5:
    * O T HA    HIS   22 - HB2   HIS   22   2.64 +/- 0.29  99.991% * 99.7956% (0.76  10.0 10.00   2.32  34.50) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  12.91 +/- 1.12   0.008% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  23.12 +/- 1.05   0.000% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.50) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  19.59 +/- 3.83   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HA    HIS   22 - HB3   HIS   22   2.83 +/- 0.27  99.985% * 99.7956% (0.95  10.0 10.00   3.46  34.50) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.15 +/- 1.06   0.015% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  23.02 +/- 0.93   0.000% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.50) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.06 +/- 0.81   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  24.34 +/- 2.11   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.2:
    * O T QG2   THR   23 - HA    THR   23   2.30 +/- 0.22  99.966% * 99.3383% (0.80  10.0 10.00   3.25  19.23) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   9.57 +/- 0.73   0.028% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  16.11 +/- 1.40   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.78 +/- 0.33   0.003% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  17.63 +/- 0.91   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  17.78 +/- 1.62   0.001% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.18 +/- 0.97   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.633, support = 3.25, residual support = 19.2:
    * O T HA    THR   23 - QG2   THR   23   2.30 +/- 0.22  42.201% * 73.9129% (0.80  10.0 10.00   3.25  19.23) =  67.847%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  57.596% * 25.6645% (0.28  10.0  1.00   3.25  19.23) =  32.153%  kept
          HA    LEU   80 - QG2   THR   23   6.49 +/- 0.53   0.090% *  0.0379% (0.41   1.0  1.00   0.02   8.52) =   0.000%
          HA    ASP-  78 - QB    ALA   91  11.00 +/- 2.04   0.100% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23   9.64 +/- 0.88   0.008% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  16.11 +/- 1.40   0.000% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  17.63 +/- 0.91   0.000% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.94 +/- 1.69   0.004% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.31 +/- 0.98   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.06 +/- 1.02   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.34 +/- 0.94   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  18.10 +/- 1.41   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.1:
    * O T QG1   VAL   24 - HA    VAL   24   2.81 +/- 0.44  99.944% * 99.7332% (1.00  10.0 10.00   3.43  65.14) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.51 +/- 0.27   0.053% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.49 +/- 1.13   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  23.60 +/- 2.22   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  27.35 +/- 2.05   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.17 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.1:
    * O T HA    VAL   24 - QG1   VAL   24   2.81 +/- 0.44  99.996% * 99.8757% (1.00  10.0 10.00   3.43  65.14) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.75 +/- 0.46   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  18.52 +/- 0.88   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  22.10 +/- 1.18   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 127.0:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.05  99.974% * 99.2829% (1.00  10.0 10.00   5.14 126.99) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.94 +/- 0.77   0.010% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.88 +/- 0.60   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.67 +/- 1.61   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.30 +/- 1.56   0.006% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  21.44 +/- 0.73   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.31 +/- 0.52   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.84 +/- 1.69   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.33 +/- 1.50   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.95 +/- 0.75   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  28.16 +/- 1.51   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.72 +/- 1.99   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.0:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.09  99.856% * 98.0202% (1.00  10.0 10.00   5.00 126.99) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.06 +/- 0.64   0.009% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.65 +/- 0.79   0.122% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  13.71 +/- 1.11   0.008% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  18.81 +/- 0.88   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.93 +/- 0.96   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.32 +/- 0.86   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.43 +/- 1.10   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.80 +/- 1.46   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.93 +/- 2.00   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.98 +/- 1.15   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  27.09 +/- 1.45   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.00 +/- 1.52   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.99 +/- 2.15   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.25 +/- 1.65   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.34 +/- 1.16   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  31.09 +/- 1.23   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.70 +/- 1.13   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.0:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.08 +/- 0.08  99.988% * 99.4877% (1.00  10.0 10.00   4.31 126.99) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  13.53 +/- 1.11   0.002% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.94 +/- 0.37   0.009% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.19 +/- 0.73   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.18 +/- 0.56   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.89 +/- 1.15   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.63 +/- 2.14   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.72 +/- 1.92   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  29.69 +/- 2.57   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  29.12 +/- 2.11   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.0:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.37 +/- 0.04  99.625% * 99.2510% (1.00  10.0 10.00   3.74 126.99) = 100.000%  kept
          HB2   GLU-  79 - HA    GLU-  25  11.05 +/- 1.09   0.098% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - HA    SER   82  14.38 +/- 0.91   0.018% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82   9.97 +/- 1.03   0.227% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  15.91 +/- 1.01   0.010% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  15.84 +/- 1.90   0.013% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  18.80 +/- 2.09   0.004% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.38 +/- 2.24   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  23.04 +/- 2.39   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.90 +/- 1.24   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.00 +/- 1.79   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  29.12 +/- 1.38   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  26.47 +/- 1.32   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.99 +/- 1.69   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.22 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 127.0:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.05  99.981% * 99.2383% (1.00  10.0 10.00   5.14 126.99) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.94 +/- 0.77   0.010% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  14.12 +/- 0.56   0.009% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.92 +/- 1.62   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 127.0:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.992% * 97.2368% (1.00  10.0 10.00   5.14 126.99) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   8.92 +/- 1.08   0.007% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  18.77 +/- 0.90   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.71 +/- 0.89   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.01 +/- 0.55   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  27.49 +/- 1.65   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.94 +/- 1.35   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  27.57 +/- 1.02   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.42 +/- 1.74   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 127.0:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.96 +/- 0.08  99.997% * 99.8559% (1.00  10.0 10.00   4.45 126.99) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  17.88 +/- 0.63   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.34 +/- 0.53   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  33.44 +/- 2.47   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  32.52 +/- 2.13   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 127.0:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.71 +/- 0.14  99.957% * 99.6757% (1.00  10.0 10.00   3.88 126.99) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  10.55 +/- 1.36   0.041% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  16.80 +/- 1.09   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  25.65 +/- 2.45   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  23.57 +/- 2.66   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.01 +/- 1.20   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  29.05 +/- 1.62   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.0:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.09  99.988% * 98.4268% (1.00  10.0 10.00   5.00 126.99) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  13.71 +/- 1.11   0.008% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.67 +/- 0.70   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  25.21 +/- 1.48   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 127.0:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.14 126.99) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.64 +/- 1.63   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.59 +/- 0.83   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.72 +/- 0.61   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.93 +/- 0.96   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.78 +/- 1.71   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.0:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.78 +/- 0.08  99.998% * 99.8559% (1.00  10.0 10.00   4.44 126.99) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.83 +/- 0.81   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.57 +/- 0.52   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  33.73 +/- 2.29   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  32.83 +/- 2.06   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.0:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.33 +/- 0.13  99.981% * 99.2075% (1.00  10.0 10.00   3.87 126.99) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  10.68 +/- 1.29   0.018% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  16.93 +/- 1.48   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.13 +/- 1.38   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  25.86 +/- 2.33   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  23.73 +/- 2.58   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  29.49 +/- 1.68   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.0:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.08 +/- 0.08  99.998% * 99.2383% (1.00  10.0 10.00   4.31 126.99) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  13.53 +/- 1.11   0.002% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  16.25 +/- 0.57   0.000% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  26.34 +/- 1.47   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 127.0:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.96 +/- 0.08  99.995% * 99.7000% (1.00  10.0 10.00   4.45 126.99) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  17.78 +/- 0.62   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  20.04 +/- 1.60   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  23.23 +/- 0.78   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.52 +/- 0.54   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.26 +/- 1.91   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.0:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.78 +/- 0.08  99.945% * 99.4104% (1.00  10.0 10.00   4.44 126.99) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.22 +/- 0.91   0.049% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.77 +/- 0.62   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  20.23 +/- 1.00   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.88 +/- 0.88   0.000% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.48 +/- 1.43   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.74 +/- 1.10   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  28.78 +/- 1.53   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.10 +/- 1.75   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.0:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 126.99) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.02 +/- 1.28   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  16.59 +/- 1.29   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  26.89 +/- 2.30   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  24.58 +/- 2.52   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.57 +/- 1.18   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  30.89 +/- 1.44   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 = 127.0:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.37 +/- 0.04  99.974% * 98.4268% (1.00  10.0 10.00   3.74 126.99) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  14.38 +/- 0.91   0.018% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.57 +/- 0.61   0.007% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  27.06 +/- 1.47   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.15 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 127.0:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.71 +/- 0.14  99.998% * 99.7000% (1.00  10.0 10.00   3.88 126.99) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  20.29 +/- 1.58   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.15 +/- 0.59   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  24.17 +/- 0.74   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.58 +/- 0.56   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.54 +/- 1.83   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.20 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.0:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.33 +/- 0.13  99.985% * 98.6730% (1.00  10.0 10.00   3.87 126.99) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  10.90 +/- 0.94   0.013% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.34 +/- 0.64   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.54 +/- 1.43   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.60 +/- 0.94   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  22.17 +/- 0.96   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  29.57 +/- 1.14   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  29.53 +/- 1.68   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  33.23 +/- 1.73   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.0:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 126.99) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  19.09 +/- 0.73   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.28 +/- 0.54   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  35.52 +/- 2.33   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  34.61 +/- 2.01   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.3:
    * O T HB    THR   26 - HA    THR   26   2.89 +/- 0.09 100.000% * 99.8279% (1.00  10.0 10.00   3.11  35.33) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  23.90 +/- 0.80   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.17 +/- 1.59   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.49 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.3:
    * O T QG2   THR   26 - HA    THR   26   2.88 +/- 0.21  99.976% * 99.3101% (1.00  10.0 10.00   3.11  35.33) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.13 +/- 0.74   0.019% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.99 +/- 0.88   0.002% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  21.82 +/- 2.02   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.68 +/- 0.85   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  27.37 +/- 2.95   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.22 +/- 0.84   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.39 +/- 1.78   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  27.68 +/- 3.12   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.73 +/- 2.81   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.3:
    * O T HA    THR   26 - HB    THR   26   2.89 +/- 0.09  99.686% * 99.6617% (1.00  10.0 10.00   3.11  35.33) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.99 +/- 0.18   0.238% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26  10.13 +/- 0.64   0.066% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.40 +/- 0.59   0.007% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  19.20 +/- 2.50   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  22.02 +/- 1.75   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.61 +/- 1.29   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  25.42 +/- 1.18   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.46 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 = 35.3:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.991% * 99.4369% (1.00  10.0 10.00   3.00  35.33) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  10.85 +/- 1.12   0.009% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  21.26 +/- 2.23   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  25.29 +/- 1.73   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  19.27 +/- 1.05   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  23.68 +/- 0.95   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  27.61 +/- 2.44   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.44 +/- 0.90   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.94 +/- 2.83   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  27.92 +/- 2.60   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.11, residual support = 35.3:
    * O T HA    THR   26 - QG2   THR   26   2.88 +/- 0.21  98.229% * 98.6211% (1.00  10.0 10.00   3.11  35.33) =  99.999%  kept
          HA    ASN   28 - QG2   THR   26   6.32 +/- 0.17   0.981% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.63 +/- 0.48   0.734% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.61 +/- 0.57   0.043% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  14.97 +/- 2.06   0.008% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  22.40 +/- 0.90   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.66 +/- 1.19   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  17.21 +/- 1.44   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.13 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.3:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01 100.000% * 99.1149% (1.00  10.0 10.00   3.00  35.33) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.40 +/- 1.36   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  17.58 +/- 0.76   0.000% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.3:
    * O T HB2   TRP   27 - HA    TRP   27   2.92 +/- 0.04  99.967% * 99.8554% (1.00  10.0 10.00   4.44  98.32) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  11.37 +/- 0.69   0.032% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.24 +/- 0.82   0.001% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.3:
    * O T HB3   TRP   27 - HA    TRP   27   2.23 +/- 0.03  99.996% * 99.7166% (1.00  10.0 10.00   4.44  98.32) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.65 +/- 0.68   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.57 +/- 2.01   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.78 +/- 1.14   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.98 +/- 0.69   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.98 +/- 0.82   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 = 98.3:
    * O T HA    TRP   27 - HB2   TRP   27   2.92 +/- 0.04  99.997% * 99.7755% (1.00  10.0 10.00   4.44  98.32) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  18.16 +/- 1.09   0.002% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.85 +/- 0.79   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.03 +/- 1.95   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 98.3:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97  98.32) = 100.000%  kept
          QE    LYS+ 106 - HB2   TRP   27  16.85 +/- 2.17   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   TRP   27  16.86 +/- 0.60   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  17.01 +/- 1.10   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.79 +/- 0.76   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.73 +/- 0.94   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.3:
    * O T HA    TRP   27 - HB3   TRP   27   2.23 +/- 0.03  99.999% * 99.7755% (1.00  10.0 10.00   4.44  98.32) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  17.32 +/- 0.94   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.51 +/- 0.85   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.79 +/- 1.97   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 98.3:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.994% * 99.8554% (1.00  10.0 10.00   4.97  98.32) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.25 +/- 0.69   0.005% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  17.69 +/- 0.88   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 93.3:
    * O T HB2   ASN   28 - HA    ASN   28   3.04 +/- 0.01  99.589% * 99.2152% (1.00  10.0 10.00   4.35  93.29) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.42 +/- 1.04   0.141% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.39 +/- 1.27   0.169% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  10.84 +/- 2.92   0.079% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  13.05 +/- 0.80   0.017% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  16.53 +/- 0.82   0.004% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.40 +/- 2.07   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 93.3:
    * O T HB3   ASN   28 - HA    ASN   28   2.42 +/- 0.07  99.208% * 99.8456% (1.00  10.0 10.00   4.20  93.29) =  99.999%  kept
          HG2   GLN   30 - HA    ASN   28   5.92 +/- 0.73   0.792% *  0.0922% (0.92   1.0  1.00   0.02   8.35) =   0.001%
          QE    LYS+ 121 - HA    ASN   28  21.67 +/- 3.84   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  23.20 +/- 4.75   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 93.3:
    * O T HA    ASN   28 - HB2   ASN   28   3.04 +/- 0.01  92.744% * 99.0365% (1.00  10.0 10.00   4.35  93.29) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   5.20 +/- 0.27   3.951% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB2   ASN   35   5.82 +/- 0.40   2.045% *  0.0291% (0.29   1.0  1.00   0.02  18.77) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.42 +/- 1.04   0.131% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   8.33 +/- 2.32   1.063% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  11.97 +/- 0.33   0.025% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  14.43 +/- 2.32   0.013% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  12.91 +/- 0.81   0.017% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.43 +/- 0.74   0.009% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  26.19 +/- 1.66   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.61 +/- 1.64   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.63 +/- 1.22   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  26.34 +/- 2.74   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  27.69 +/- 6.51   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  32.00 +/- 4.21   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.23 +/- 1.89   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  22.80 +/- 1.26   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.54 +/- 1.82   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 93.3:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.963% * 99.4888% (1.00  10.0 10.00   5.28  93.29) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.01 +/- 0.66   0.031% *  0.0918% (0.92   1.0  1.00   0.02   8.35) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   9.74 +/- 0.98   0.004% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.31 +/- 1.18   0.002% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  24.24 +/- 3.67   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.23 +/- 4.98   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  23.03 +/- 6.37   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  25.94 +/- 4.49   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 93.3:
    * O T HA    ASN   28 - HB3   ASN   28   2.42 +/- 0.07  99.742% * 99.4977% (1.00  10.0 10.00   4.20  93.29) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.72 +/- 0.24   0.240% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.60 +/- 0.25   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.08 +/- 2.30   0.007% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  14.50 +/- 0.70   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.64 +/- 1.89   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.77 +/- 1.46   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.89 +/- 1.45   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  31.48 +/- 4.38   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 93.3:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.989% * 99.2152% (1.00  10.0 10.00   5.28  93.29) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28   9.74 +/- 0.98   0.004% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.09 +/- 1.54   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  11.59 +/- 3.15   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  17.59 +/- 0.85   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  14.39 +/- 0.81   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.40 +/- 2.04   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 92.2:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.96 +/- 0.09  99.320% * 98.3644% (1.00  10.0 10.00   4.63  92.20) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.08 +/- 0.28   0.246% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.55 +/- 0.64   0.193% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    GLU-  29  15.58 +/- 0.64   0.005% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.66 +/- 0.69   0.007% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.59 +/- 1.83   0.044% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.77 +/- 1.99   0.035% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.18 +/- 1.87   0.059% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.35 +/- 2.23   0.031% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.49 +/- 1.88   0.010% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.45 +/- 1.73   0.006% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  16.03 +/- 1.72   0.005% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  16.22 +/- 0.73   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.86 +/- 0.72   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  20.41 +/- 1.54   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.39 +/- 1.78   0.010% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.54 +/- 1.60   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.05 +/- 0.53   0.004% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  16.77 +/- 2.04   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.51 +/- 1.62   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.17 +/- 2.58   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.68 +/- 1.68   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.03 +/- 0.74   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.58 +/- 1.65   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.97 +/- 0.65   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  19.73 +/- 0.82   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  20.53 +/- 0.82   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.39 +/- 2.97   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.63 +/- 1.02   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.61 +/- 3.07   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  23.72 +/- 1.21   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.24 +/- 1.20   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.46 +/- 1.17   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.29 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.841, support = 5.03, residual support = 91.2:
      O   HB3   GLU-  29 - HA    GLU-  29   2.72 +/- 0.13  30.378% * 44.1460% (0.80  10.0  1.00   5.12  92.20) =  74.228%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.40 +/- 0.15   8.081% * 55.1317% (1.00  10.0 10.00   4.94  92.20) =  24.658%  kept
          QB    GLU-  36 - HA    LYS+  33   2.41 +/- 0.18  60.590% *  0.3319% (0.13   1.0  1.00   0.90   0.02) =   1.113%  kept
          QB    GLU-  36 - HA    GLN   32   5.24 +/- 0.44   0.646% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.38 +/- 0.80   0.021% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.05 +/- 0.47   0.046% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.31 +/- 0.74   0.098% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.45 +/- 0.21   0.071% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.56 +/- 0.23   0.031% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.83 +/- 0.25   0.026% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.18 +/- 0.38   0.011% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.68 +/- 0.54   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.20 +/- 1.23   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.08 +/- 1.56   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.11 +/- 1.12   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.48 +/- 1.33   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  25.66 +/- 1.02   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  27.98 +/- 1.53   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 92.2:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.18 +/- 0.29  99.703% * 99.0116% (1.00  10.0 10.00   4.63  92.20) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.17 +/- 0.95   0.179% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    GLN   32   7.05 +/- 0.26   0.111% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  15.25 +/- 2.18   0.001% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.21 +/- 0.73   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  16.30 +/- 3.12   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.95 +/- 1.16   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.60 +/- 2.27   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.77 +/- 1.32   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.87 +/- 0.72   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.44 +/- 0.72   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.28 +/- 0.52   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.80 +/- 1.12   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.11 +/- 0.82   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.87 +/- 2.27   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  25.41 +/- 0.92   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.41 +/- 0.93   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.18 +/- 2.54   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.61 +/- 0.98   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  26.68 +/- 0.87   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  28.24 +/- 2.26   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 92.2:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.96 +/- 0.09  99.539% * 98.1508% (1.00  10.0 10.00   4.63  92.20) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.55 +/- 0.64   0.194% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.08 +/- 0.28   0.246% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  14.59 +/- 0.96   0.008% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  15.26 +/- 1.73   0.007% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.75 +/- 0.91   0.003% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  20.39 +/- 1.88   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  21.41 +/- 1.67   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  28.99 +/- 2.40   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.18 +/- 2.03   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 4.32, residual support = 92.2:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  83.656% * 44.1051% (0.80  10.0  1.00   4.30  92.20) =  80.390%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.31 +/- 0.07  16.340% * 55.0806% (1.00  10.0 10.00   4.40  92.20) =  19.610%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  13.23 +/- 1.36   0.001% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29   9.86 +/- 0.57   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.34 +/- 1.90   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.75 +/- 0.58   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 92.2:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.86 +/- 0.15  99.990% * 99.6674% (1.00  10.0 10.00   4.00  92.20) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.39 +/- 1.47   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.25 +/- 0.82   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.59 +/- 1.11   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  25.59 +/- 0.84   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  27.12 +/- 2.39   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.99 +/- 0.82   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 92.2:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.18 +/- 0.29  99.705% * 98.1508% (1.00  10.0 10.00   4.63  92.20) =  99.998%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.17 +/- 0.95   0.179% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   GLU-  29   7.05 +/- 0.26   0.111% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  16.85 +/- 1.33   0.002% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.99 +/- 1.40   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  16.10 +/- 2.02   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  23.69 +/- 1.69   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  21.44 +/- 1.50   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.85 +/- 2.66   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.41 +/- 2.03   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 92.2:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.86 +/- 0.15  99.974% * 99.5124% (1.00  10.0 10.00   4.00  92.20) = 100.000%  kept
          QG    GLU-  15 - HG2   GLU-  29  15.52 +/- 2.31   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG2   GLU-  29  15.94 +/- 2.00   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  16.47 +/- 0.69   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.95 +/- 1.27   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.88 +/- 1.92   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  18.09 +/- 1.02   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  21.13 +/- 1.63   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.33 +/- 1.70   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.34 +/- 1.91   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.72 +/- 2.73   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.44 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.15, residual support = 92.2:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  94.982% * 55.3193% (1.00  10.0 10.00   4.14  92.20) =  95.945%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.87 +/- 0.10   5.013% * 44.2962% (0.80  10.0 10.00   4.30  92.20) =   4.055%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.19 +/- 0.65   0.005% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.37 +/- 0.80   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.13 +/- 1.18   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.80 +/- 1.64   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.937, support = 4.86, residual support = 157.1:
    * O T HB2   GLN   30 - HA    GLN   30   2.62 +/- 0.15  48.793% * 53.1933% (1.00  10.0 10.00   4.87 157.06) =  52.353%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.68 +/- 0.58  51.194% * 46.1414% (0.87  10.0 10.00   4.85 157.06) =  47.647%  kept
          HB3   GLU- 100 - HA    GLN   30  14.59 +/- 1.79   0.002% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.47 +/- 1.15   0.008% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.45 +/- 1.21   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.18 +/- 0.92   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.90 +/- 1.62   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  22.33 +/- 1.27   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.26 +/- 2.80   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.87 +/- 1.84   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.76 +/- 2.34   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.2, residual support = 155.2:
    * O T HB3   GLN   30 - HA    GLN   30   2.97 +/- 0.16  61.818% * 97.5731% (1.00  10.0 10.00   5.25 157.06) =  98.799%  kept
          QB    LYS+  33 - HA    GLN   30   3.33 +/- 0.63  38.167% *  1.9214% (0.25   1.0  1.00   1.58   0.28) =   1.201%  kept
          HB3   LYS+  38 - HA    GLN   30  13.43 +/- 0.64   0.008% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.15 +/- 1.07   0.002% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.39 +/- 0.84   0.002% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  23.97 +/- 1.04   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.46 +/- 1.37   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.19 +/- 1.49   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  25.01 +/- 1.35   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  20.83 +/- 2.35   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  23.37 +/- 2.15   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  25.58 +/- 2.48   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 157.1:
    * O T HG2   GLN   30 - HA    GLN   30   3.36 +/- 0.37  99.097% * 99.8053% (1.00  10.0 10.00   5.75 157.06) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.55 +/- 0.10   0.897% *  0.0921% (0.92   1.0  1.00   0.02   8.35) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  21.48 +/- 3.63   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  21.68 +/- 4.73   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 157.1:
    * O T HA    GLN   30 - HB2   GLN   30   2.62 +/- 0.15  99.863% * 99.6678% (1.00  10.0 10.00   4.87 157.06) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   9.20 +/- 1.14   0.073% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.27 +/- 0.60   0.056% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  15.91 +/- 1.90   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  15.49 +/- 1.73   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.19 +/- 1.53   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  17.42 +/- 1.09   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.82 +/- 1.90   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.30 +/- 1.31   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 157.1:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.775% * 98.9590% (1.00  10.0 10.00   4.14 157.06) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.99 +/- 0.48   0.224% *  0.0247% (0.25   1.0  1.00   0.02   0.28) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.08 +/- 1.07   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.59 +/- 0.79   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.22 +/- 0.79   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.42 +/- 2.30   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.60 +/- 0.95   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.07 +/- 1.52   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.05 +/- 1.30   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  22.85 +/- 1.26   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.26 +/- 2.05   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  21.78 +/- 2.03   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 157.1:
    * O T HG2   GLN   30 - HB2   GLN   30   2.86 +/- 0.21  99.758% * 99.8053% (1.00  10.0 10.00   5.73 157.06) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.91 +/- 0.39   0.238% *  0.0921% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.69 +/- 3.52   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  19.72 +/- 4.61   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 157.1:
    * O T HA    GLN   30 - HB3   GLN   30   2.97 +/- 0.16  99.858% * 99.5115% (1.00  10.0 10.00   5.25 157.06) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30  10.45 +/- 1.08   0.063% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.36 +/- 0.61   0.058% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  14.61 +/- 1.99   0.010% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  16.54 +/- 1.76   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.06 +/- 1.51   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.64 +/- 1.29   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  16.79 +/- 1.19   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.49 +/- 1.86   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.993, support = 4.2, residual support = 157.1:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  94.003% * 53.1733% (1.00  10.0 10.00   4.14 157.06) =  94.758%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.81 +/- 0.17   5.995% * 46.1240% (0.87  10.0  1.00   5.15 157.06) =   5.242%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.92 +/- 1.67   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.35 +/- 1.21   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.52 +/- 2.18   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.87 +/- 0.86   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.82 +/- 1.42   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.91 +/- 1.23   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  19.10 +/- 1.57   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.63 +/- 2.62   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.52 +/- 1.74   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 = 5.98, residual support = 157.1:
    * O T HG2   GLN   30 - HB3   GLN   30   2.40 +/- 0.20  99.764% * 99.8053% (1.00  10.0 10.00   5.98 157.06) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   6.70 +/- 0.40   0.235% *  0.0921% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  20.26 +/- 3.57   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  20.60 +/- 4.52   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 157.1:
    * O T HA    GLN   30 - HG2   GLN   30   3.36 +/- 0.37  99.726% * 99.6678% (1.00  10.0 10.00   5.75 157.06) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  11.38 +/- 1.32   0.117% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  11.18 +/- 0.86   0.108% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  14.92 +/- 1.85   0.022% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  15.77 +/- 1.60   0.014% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  19.77 +/- 1.52   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  17.46 +/- 1.43   0.008% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  24.23 +/- 2.04   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.37 +/- 1.35   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.876, support = 6.32, residual support = 157.1:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  94.343% * 46.1414% (0.87  10.0 10.00   6.36 157.06) =  93.537%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.86 +/- 0.21   5.654% * 53.1933% (1.00  10.0 10.00   5.73 157.06) =   6.463%  kept
        T HB2   PRO   93 - HG2   GLN   30  19.21 +/- 1.39   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.99 +/- 1.35   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.64 +/- 1.84   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.99 +/- 1.11   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  20.77 +/- 1.62   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  19.38 +/- 1.46   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.12 +/- 2.75   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.24 +/- 1.86   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.13 +/- 2.27   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 157.1:
    * O T HB3   GLN   30 - HG2   GLN   30   2.40 +/- 0.20  99.366% * 99.4599% (1.00  10.0 10.00   5.98 157.06) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   6.08 +/- 0.68   0.628% *  0.0248% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.87 +/- 0.82   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  15.08 +/- 1.17   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.27 +/- 1.36   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  21.46 +/- 1.20   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.35 +/- 1.31   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.14 +/- 1.34   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  21.01 +/- 2.33   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  18.88 +/- 1.54   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  22.00 +/- 2.40   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  22.87 +/- 2.35   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.6:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  99.462% * 99.2507% (1.00  10.0 10.00   6.00 232.59) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.43 +/- 1.34   0.370% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.10 +/- 0.61   0.075% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.35 +/- 1.28   0.050% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  13.36 +/- 0.78   0.014% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.38 +/- 0.59   0.009% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  14.18 +/- 0.53   0.009% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  17.95 +/- 1.10   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  16.12 +/- 1.03   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.85 +/- 4.56   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.63 +/- 1.01   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.26 +/- 2.72   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.6:
    * O T HB3   LEU   31 - HA    LEU   31   2.43 +/- 0.08  99.980% * 99.6763% (1.00  10.0 10.00   6.00 232.59) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  11.19 +/- 0.34   0.011% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.34 +/- 0.38   0.006% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  21.06 +/- 3.34   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.04 +/- 0.69   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.59 +/- 0.89   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  22.42 +/- 4.52   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  27.15 +/- 2.04   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 5.99, residual support = 232.5:
    * O T HG    LEU   31 - HA    LEU   31   3.10 +/- 0.53  49.532% * 99.6594% (0.80  10.0 10.00   5.99 232.59) =  99.966%  kept
          QG1   VAL   41 - HA    LEU   31   3.18 +/- 0.75  49.228% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.031%
          QD2   LEU   73 - HA    LEU   31   6.05 +/- 1.74   1.239% *  0.1149% (0.92   1.0  1.00   0.02   3.26) =   0.003%
          QD1   ILE   56 - HA    LEU   31  18.71 +/- 1.53   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  21.58 +/- 4.67   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 232.6:
    *   T QD1   LEU   31 - HA    LEU   31   3.63 +/- 0.09 100.000% *100.0000% (1.00 10.00   4.85 232.59) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.32 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 232.6:
    *   T QD2   LEU   31 - HA    LEU   31   2.46 +/- 0.68  99.481% * 99.6345% (1.00 10.00   5.74 232.59) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.44 +/- 0.64   0.406% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31  10.12 +/- 2.12   0.099% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  12.61 +/- 0.47   0.014% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.16 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.6:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 232.59) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.6:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.995% * 99.6763% (1.00  10.0 10.00   6.00 232.59) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.64 +/- 0.39   0.004% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  13.17 +/- 0.36   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.97 +/- 3.21   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.12 +/- 0.72   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.55 +/- 0.96   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  24.27 +/- 4.35   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.62 +/- 1.98   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 232.6:
    * O T HG    LEU   31 - HB2   LEU   31   2.63 +/- 0.33  98.003% * 99.6594% (0.80  10.0 10.00   6.02 232.59) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.59 +/- 0.78   1.716% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   7.79 +/- 1.72   0.280% *  0.1149% (0.92   1.0  1.00   0.02   3.26) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  19.86 +/- 1.62   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  23.35 +/- 4.55   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 232.6:
    * O T QD1   LEU   31 - HB2   LEU   31   2.54 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   4.87 232.59) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.6:
    * O T QD2   LEU   31 - HB2   LEU   31   2.78 +/- 0.47  99.465% * 99.6345% (1.00  10.0 10.00   5.76 232.59) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.79 +/- 0.67   0.357% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31   9.07 +/- 2.44   0.159% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  12.40 +/- 0.71   0.018% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.6:
    * O T HA    LEU   31 - HB3   LEU   31   2.43 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   6.00 232.59) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.6:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.977% * 99.2507% (1.00  10.0 10.00   6.00 232.59) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.09 +/- 1.30   0.017% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.68 +/- 1.02   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.66 +/- 1.52   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.00 +/- 0.83   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.21 +/- 0.73   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  13.68 +/- 0.52   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  15.22 +/- 0.97   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  19.24 +/- 1.30   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.83 +/- 4.41   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.05 +/- 1.05   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.29 +/- 2.79   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 232.6:
    * O T HG    LEU   31 - HB3   LEU   31   2.77 +/- 0.25  91.002% * 98.0242% (0.80  10.0 10.00   6.01 232.59) =  99.993%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.60 +/- 1.62   0.337% *  1.1301% (0.92   1.0 10.00   0.02   3.26) =   0.004%
          QG1   VAL   41 - HB3   LEU   31   4.67 +/- 0.94   8.659% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  21.97 +/- 4.83   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  19.37 +/- 1.56   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 232.6:
    * O T QD1   LEU   31 - HB3   LEU   31   2.24 +/- 0.28 100.000% *100.0000% (1.00  10.0 10.00   4.87 232.59) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.6:
    * O T QD2   LEU   31 - HB3   LEU   31   2.88 +/- 0.24  99.460% * 99.6345% (1.00  10.0 10.00   5.76 232.59) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.64 +/- 0.77   0.366% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31   9.51 +/- 2.35   0.154% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  12.22 +/- 0.73   0.020% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.99, residual support = 232.6:
    * O T HA    LEU   31 - HG    LEU   31   3.10 +/- 0.53 100.000% *100.0000% (0.80  10.0 10.00   5.99 232.59) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 232.6:
    * O T HB2   LEU   31 - HG    LEU   31   2.63 +/- 0.33  99.270% * 99.2507% (0.80  10.0 10.00   6.02 232.59) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   8.04 +/- 1.64   0.638% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  10.78 +/- 0.84   0.027% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.87 +/- 1.53   0.021% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.66 +/- 0.99   0.013% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.35 +/- 0.82   0.008% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  11.93 +/- 0.46   0.014% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  14.08 +/- 0.95   0.005% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  18.00 +/- 1.31   0.001% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.72 +/- 4.24   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.18 +/- 1.09   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.91 +/- 2.79   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 232.6:
    * O T HB3   LEU   31 - HG    LEU   31   2.77 +/- 0.25  99.857% * 99.4283% (0.80  10.0 10.00   6.01 232.59) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   9.17 +/- 0.77   0.116% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.98 +/- 0.40   0.018% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  22.62 +/- 4.33   0.000% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  20.88 +/- 3.33   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.35 +/- 1.16   0.004% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.75 +/- 1.07   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.39 +/- 2.09   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.99, residual support = 232.6:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.99 232.59) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 232.6:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  99.657% * 99.6345% (0.80  10.0 10.00   5.89 232.59) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   5.93 +/- 0.73   0.269% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   7.85 +/- 2.30   0.068% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  10.72 +/- 0.63   0.006% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 232.6:
    *   T HA    LEU   31 - QD1   LEU   31   3.63 +/- 0.09 100.000% *100.0000% (1.00 10.00   4.85 232.59) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 232.6:
    * O T HB2   LEU   31 - QD1   LEU   31   2.54 +/- 0.17  98.458% * 99.2507% (1.00  10.0 10.00   4.87 232.59) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.07 +/- 1.31   1.345% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31   8.85 +/- 0.67   0.065% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.49 +/- 1.30   0.033% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.77 +/- 1.00   0.023% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31   9.55 +/- 0.51   0.038% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.27 +/- 0.77   0.014% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  10.95 +/- 0.85   0.018% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  15.33 +/- 1.17   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.80 +/- 0.90   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.25 +/- 2.48   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  19.11 +/- 3.28   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 232.6:
    * O T HB3   LEU   31 - QD1   LEU   31   2.24 +/- 0.28  99.835% * 99.6763% (1.00  10.0 10.00   4.87 232.59) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   7.66 +/- 0.65   0.138% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.86 +/- 0.61   0.017% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.48 +/- 2.66   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.49 +/- 0.77   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.81 +/- 0.92   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.58 +/- 3.60   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.93 +/- 1.63   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.99, residual support = 232.6:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.02  98.205% * 99.6594% (0.80  10.0 10.00   4.99 232.59) =  99.999%  kept
          QG1   VAL   41 - QD1   LEU   31   4.73 +/- 0.73   1.514% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - QD1   LEU   31   6.20 +/- 1.36   0.279% *  0.1149% (0.92   1.0  1.00   0.02   3.26) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  14.98 +/- 1.43   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  17.76 +/- 3.79   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 232.6:
    * O T QD2   LEU   31 - QD1   LEU   31   2.05 +/- 0.06  98.760% * 99.6345% (1.00  10.0 10.00   4.62 232.59) =  99.997%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.85 +/- 0.75   0.898% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - QD1   LEU   31   6.06 +/- 2.06   0.318% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   8.40 +/- 0.78   0.024% *  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 = 232.6:
    *   T HA    LEU   31 - QD2   LEU   31   2.46 +/- 0.68  99.592% * 99.9324% (1.00 10.00   5.74 232.59) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.44 +/- 0.64   0.408% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.13 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.6:
    * O T HB2   LEU   31 - QD2   LEU   31   2.78 +/- 0.47  92.723% * 98.7715% (1.00  10.0 10.00   5.76 232.59) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   6.81 +/- 1.20   1.390% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - QD2   LEU   31   9.79 +/- 0.73   0.056% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   7.79 +/- 0.67   0.320% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.51 +/- 0.43   1.964% *  0.0054% (0.05   1.0  1.00   0.02  15.23) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   8.69 +/- 1.11   0.109% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.70 +/- 1.40   0.062% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.71 +/- 1.37   1.447% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.66 +/- 0.74   0.764% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.43 +/- 0.72   0.056% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.69 +/- 0.90   0.055% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   6.80 +/- 0.79   0.693% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  11.77 +/- 0.88   0.030% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  14.36 +/- 1.38   0.010% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.97 +/- 0.86   0.174% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.81 +/- 0.97   0.047% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.42 +/- 0.90   0.005% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  18.54 +/- 3.26   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.05 +/- 0.90   0.056% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.49 +/- 2.19   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.33 +/- 0.84   0.019% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.52 +/- 1.95   0.007% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.58 +/- 0.72   0.006% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.21 +/- 2.40   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.6:
    * O T HB3   LEU   31 - QD2   LEU   31   2.88 +/- 0.24  97.943% * 99.5873% (1.00  10.0 10.00   5.76 232.59) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   7.58 +/- 0.94   0.585% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   7.64 +/- 0.77   0.361% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.28 +/- 0.40   0.097% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.02 +/- 0.77   0.311% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.79 +/- 0.67   0.353% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.87 +/- 2.72   0.004% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.50 +/- 0.70   0.016% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.82 +/- 0.86   0.014% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.90 +/- 0.70   0.146% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.01 +/- 2.39   0.025% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.89 +/- 0.56   0.135% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  18.58 +/- 3.48   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.55 +/- 1.81   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.67 +/- 1.61   0.003% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  16.15 +/- 2.65   0.005% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 232.6:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  75.001% * 99.5693% (0.80  10.0 10.00   5.89 232.59) =  99.992%  kept
          QG1   VAL   41 - QD2   LEU   31   3.71 +/- 1.21  11.214% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QD2   LEU   31   4.68 +/- 1.45   1.376% *  0.1148% (0.92   1.0  1.00   0.02   3.26) =   0.002%
          QD2   LEU   73 - QG2   VAL   43   4.61 +/- 1.37  12.079% *  0.0078% (0.06   1.0  1.00   0.02   9.17) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   5.93 +/- 0.73   0.200% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.17 +/- 0.48   0.120% *  0.0021% (0.02   1.0  1.00   0.02   1.60) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.50 +/- 1.37   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.37 +/- 1.33   0.008% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  17.84 +/- 3.65   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  15.40 +/- 2.81   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 232.6:
    * O T QD1   LEU   31 - QD2   LEU   31   2.05 +/- 0.06  99.098% * 99.9324% (1.00  10.0 10.00   4.62 232.59) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.85 +/- 0.75   0.902% *  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 = 0.685, support = 3.02, residual support = 42.3:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.07  60.413% * 48.6885% (0.69  10.0 10.00   2.96  44.16) =  94.407%  kept
        T QB    GLN   32 - HA    LYS+  33   4.03 +/- 0.16   3.248% * 50.1038% (0.71   1.0 10.00   4.38  11.35) =   5.224%  kept
        T QB    GLN   32 - HA    GLU-  29   2.70 +/- 0.21  36.302% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.369%
          HG3   GLU- 100 - HA    GLN   32  11.68 +/- 1.97   0.011% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.40 +/- 0.43   0.011% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  12.02 +/- 1.89   0.007% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.21 +/- 0.39   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.53 +/- 0.49   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.96 +/- 1.84   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.01 +/- 2.45   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  18.61 +/- 1.60   0.000% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  21.32 +/- 1.01   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.69 +/- 2.23   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.89 +/- 2.28   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  22.88 +/- 1.29   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.54 +/- 1.18   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  30.30 +/- 0.87   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.79 +/- 2.34   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.87 +/- 2.54   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.73 +/- 2.30   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.45 +/- 1.08   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 43.2:
    * O T QG    GLN   32 - HA    GLN   32   2.24 +/- 0.15  90.791% * 48.7402% (0.69  10.0 10.00   2.96  44.16) =  97.122%  kept
        T QG    GLN   32 - HA    LYS+  33   4.75 +/- 0.76   2.573% * 50.1570% (0.71   1.0 10.00   4.38  11.35) =   2.832%  kept
        T QG    GLN   32 - HA    GLU-  29   4.24 +/- 0.84   6.615% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.046%
        T HB2   GLU- 100 - HA    GLN   32  12.18 +/- 2.17   0.012% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.09 +/- 1.96   0.003% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.64 +/- 2.08   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  13.13 +/- 0.74   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  16.89 +/- 0.75   0.001% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.13 +/- 0.83   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.61 +/- 0.98   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.21 +/- 0.73   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.41 +/- 0.93   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.87 +/- 0.72   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.47 +/- 2.32   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.11 +/- 0.82   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.28 +/- 0.52   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.02 +/- 2.00   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.18 +/- 2.54   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  28.24 +/- 2.26   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.87 +/- 2.27   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.45 +/- 2.01   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.693, support = 3.02, residual support = 42.0:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.07  60.433% * 46.7473% (0.69  10.0 10.00   2.96  44.16) =  93.662%  kept
        T HA    LYS+  33 - QB    GLN   32   4.03 +/- 0.16   3.249% * 52.0093% (0.76   1.0 10.00   4.38  11.35) =   5.603%  kept
        T HA    GLU-  29 - QB    GLN   32   2.70 +/- 0.21  36.313% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.735%  kept
          HA    VAL   18 - QB    GLN   32  14.84 +/- 0.72   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.85 +/- 0.96   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  16.47 +/- 2.06   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.48 +/- 1.52   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  19.69 +/- 0.87   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  22.95 +/- 1.31   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.51 +/- 2.22   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  99.995% * 99.7611% (1.00  10.0 10.00   3.00  44.16) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  13.96 +/- 0.68   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.06 +/- 1.88   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.78 +/- 0.67   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.11 +/- 0.78   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  25.66 +/- 1.99   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.08 +/- 1.76   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.689, support = 3.0, residual support = 43.1:
    * O T HA    GLN   32 - QG    GLN   32   2.24 +/- 0.15  90.808% * 46.7583% (0.69  10.0 10.00   2.96  44.16) =  96.854%  kept
        T HA    LYS+  33 - QG    GLN   32   4.75 +/- 0.76   2.573% * 52.0216% (0.76   1.0 10.00   4.38  11.35) =   3.054%  kept
        T HA    GLU-  29 - QG    GLN   32   4.24 +/- 0.84   6.615% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.092%
          HA    VAL   18 - QG    GLN   32  16.18 +/- 0.75   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.61 +/- 0.94   0.001% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  17.15 +/- 2.57   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.31 +/- 2.49   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  20.14 +/- 1.20   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.21 +/- 1.55   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.60 +/- 1.63   0.000% *  0.0331% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  99.992% * 99.6746% (1.00  10.0 10.00   3.00  44.16) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  12.27 +/- 1.82   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  12.56 +/- 1.35   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  20.49 +/- 1.09   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.44 +/- 2.20   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  28.47 +/- 2.32   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  28.40 +/- 1.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 150.4:
    * O T QB    LYS+  33 - HA    LYS+  33   2.21 +/- 0.05  98.425% * 96.5845% (1.00  10.0 10.00   6.20 150.40) =  99.997%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.69 +/- 1.05   0.658% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HA    GLN   32   5.40 +/- 0.21   0.466% *  0.2484% (0.26   1.0 10.00   0.02  11.35) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.74 +/- 0.22   0.330% *  0.0067% (0.07   1.0  1.00   0.02  19.50) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   8.11 +/- 0.30   0.041% *  0.0241% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.89 +/- 0.21   0.012% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.75 +/- 0.24   0.054% *  0.0062% (0.06   1.0  1.00   0.02   1.63) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  16.72 +/- 0.90   0.001% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  21.77 +/- 0.84   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.80 +/- 0.37   0.007% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  19.60 +/- 0.88   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.25 +/- 1.52   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.86 +/- 1.41   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.47 +/- 0.97   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.90 +/- 1.58   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.76 +/- 1.52   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.35 +/- 0.52   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.00 +/- 1.26   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.62 +/- 1.44   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.08 +/- 1.23   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.93 +/- 1.62   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.21 +/- 1.28   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.02 +/- 1.54   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.92 +/- 1.68   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  27.87 +/- 1.89   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.93 +/- 0.99   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.15 +/- 2.16   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.45 +/- 2.31   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.47 +/- 1.95   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  28.54 +/- 1.19   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  25.64 +/- 1.64   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.92 +/- 4.41   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.10 +/- 1.68   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.50 +/- 2.42   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.68 +/- 1.23   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.63 +/- 2.00   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  28.46 +/- 1.14   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.68 +/- 0.94   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  28.83 +/- 4.10   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  25.84 +/- 1.20   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  30.00 +/- 3.56   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.30 +/- 1.04   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.991, support = 5.98, residual support = 148.7:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.25 +/- 0.29  89.216% * 76.3092% (1.00  10.0 10.00   6.00 150.40) =  98.809%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.95 +/- 0.83   4.115% * 19.6245% (0.26   1.0 10.00   4.19  11.35) =   1.172%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.38 +/- 1.66   5.896% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+ 102 - HA    LYS+  33  16.31 +/- 2.21   0.011% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.07 +/- 1.88   0.019% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  11.98 +/- 1.31   0.043% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.23 +/- 1.53   0.072% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  14.01 +/- 2.75   0.037% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.66 +/- 1.44   0.099% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.79 +/- 1.42   0.170% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  14.38 +/- 0.66   0.013% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.00 +/- 1.08   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  11.96 +/- 1.25   0.042% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  22.30 +/- 1.71   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.15 +/- 1.74   0.004% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.03 +/- 1.35   0.045% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.30 +/- 1.32   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.76 +/- 1.80   0.027% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.00 +/- 1.38   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.86 +/- 0.62   0.011% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.64 +/- 0.53   0.008% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.04 +/- 1.54   0.055% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.91 +/- 1.70   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  17.18 +/- 2.54   0.008% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.56 +/- 0.82   0.006% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.52 +/- 1.58   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.72 +/- 2.64   0.006% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.09 +/- 0.67   0.025% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.42 +/- 0.74   0.013% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  14.79 +/- 0.71   0.011% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.28 +/- 1.26   0.015% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  18.65 +/- 0.70   0.003% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.20 +/- 0.58   0.003% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.00 +/- 0.67   0.005% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  16.70 +/- 0.49   0.005% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.22 +/- 0.79   0.006% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  25.58 +/- 4.61   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.65 +/- 2.46   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.93 +/- 1.06   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  25.37 +/- 4.78   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.17 +/- 1.03   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.35 +/- 2.31   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.20 +/- 0.99   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.35 +/- 2.14   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  27.28 +/- 4.09   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.76, residual support = 149.2:
    *   T QD    LYS+  33 - HA    LYS+  33   3.38 +/- 0.82  90.179% * 76.4468% (1.00 10.00   4.79 150.40) =  99.166%  kept
        T QD    LYS+  33 - HA    GLN   32   6.44 +/- 1.29   1.940% * 19.6599% (0.26 10.00   3.10  11.35) =   0.549%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.05 +/- 1.40   7.851% *  2.5309% (0.28 10.00   0.24   0.02) =   0.286%
          HD2   LYS+  74 - HA    LYS+  33  18.26 +/- 0.89   0.006% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  32.77 +/- 2.64   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.52 +/- 0.70   0.011% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  22.75 +/- 1.38   0.002% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.51 +/- 0.75   0.005% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  28.48 +/- 5.08   0.001% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.64 +/- 2.66   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.96 +/- 2.49   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.84 +/- 1.37   0.002% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.24 +/- 1.28   0.001% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  29.49 +/- 4.75   0.000% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.95 +/- 4.09   0.000% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.33 +/- 2.48   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.41 +/- 2.67   0.000% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.53 +/- 2.23   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.21 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.786, support = 4.9, residual support = 115.2:
    *   T QE    LYS+  33 - HA    LYS+  33   3.79 +/- 0.75  27.867% * 50.1199% (1.00 10.00   5.44 150.40) =  73.166%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.80 +/- 0.15  18.660% * 13.7158% (0.27 10.00   4.75  32.79) =  13.407%  kept
        T HB2   ASN   35 - HA    GLN   32   3.40 +/- 0.73  47.727% *  4.3967% (0.09 10.00   2.08   6.02) =  10.992%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.43 +/- 0.29   2.027% * 17.0963% (0.34 10.00   2.01   1.41) =   1.815%  kept
        T QE    LYS+  33 - HA    GLN   32   6.84 +/- 1.32   0.887% * 12.8894% (0.26 10.00   3.28  11.35) =   0.599%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.61 +/- 1.74   2.292% *  0.1399% (0.28 10.00   0.02   0.02) =   0.017%
        T HB2   ASN   28 - HA    GLN   32   7.44 +/- 0.45   0.323% *  0.1263% (0.25 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    LYS+  33  10.12 +/- 0.57   0.052% *  0.4913% (0.98 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    GLU-  29   8.54 +/- 0.71   0.137% *  0.0477% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  20.96 +/- 1.88   0.001% *  0.4495% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  15.78 +/- 0.90   0.004% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  20.20 +/- 1.06   0.001% *  0.1116% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  22.23 +/- 1.91   0.001% *  0.1255% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  15.37 +/- 2.32   0.005% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  23.03 +/- 1.81   0.000% *  0.1156% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  14.79 +/- 1.49   0.006% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  19.47 +/- 2.36   0.001% *  0.0344% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  16.40 +/- 3.20   0.004% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  19.33 +/- 0.75   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  19.38 +/- 0.99   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  24.19 +/- 0.99   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.66 +/- 1.26   0.002% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  23.05 +/- 0.90   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.76 +/- 1.28   0.001% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 150.4:
    * O T HA    LYS+  33 - QB    LYS+  33   2.21 +/- 0.05  98.557% * 98.1731% (1.00  10.0 10.00   6.20 150.40) =  99.992%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.69 +/- 1.05   0.660% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLN   32 - QB    LYS+  33   5.40 +/- 0.21   0.467% *  0.2730% (0.28   1.0 10.00   0.02  11.35) =   0.001%
          HB2   SER   37 - QB    LYS+  33   6.19 +/- 0.78   0.293% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33  10.08 +/- 1.37   0.017% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.54 +/- 0.80   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  18.84 +/- 1.65   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.55 +/- 1.52   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.15 +/- 2.52   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.38 +/- 1.36   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.13 +/- 1.45   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 150.4:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.45 +/- 0.09  99.856% * 96.3761% (1.00  10.0 10.00   6.20 150.40) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33   9.75 +/- 1.39   0.032% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   8.99 +/- 1.38   0.057% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.18 +/- 1.96   0.003% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.51 +/- 2.24   0.020% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  11.53 +/- 0.81   0.010% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  18.12 +/- 1.68   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.15 +/- 0.98   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.92 +/- 1.58   0.011% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.81 +/- 0.80   0.006% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  15.67 +/- 0.81   0.002% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  14.95 +/- 0.68   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  22.06 +/- 3.92   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.59 +/- 1.10   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.76 +/- 2.21   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 150.4:
    * O T QD    LYS+  33 - QB    LYS+  33   2.24 +/- 0.26  99.997% * 97.3258% (1.00  10.0 10.00   5.06 150.40) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.43 +/- 0.95   0.002% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  24.39 +/- 4.34   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.10 +/- 2.35   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  18.72 +/- 1.28   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.05 +/- 2.29   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 150.4:
    *   T QE    LYS+  33 - QB    LYS+  33   2.91 +/- 0.62  98.151% * 98.6189% (1.00 10.00   5.63 150.40) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.43 +/- 0.41   1.532% *  0.0336% (0.34  1.00   0.02   1.41) =   0.001%
          HB2   ASN   28 - QB    LYS+  33   8.59 +/- 0.87   0.264% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.07 +/- 1.81   0.005% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  16.33 +/- 1.16   0.005% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  12.50 +/- 1.62   0.036% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.67 +/- 1.78   0.005% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  19.95 +/- 1.07   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.99, support = 5.97, residual support = 148.5:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.25 +/- 0.29  85.966% * 74.2013% (1.00  10.0 10.00   6.00 150.40) =  98.638%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.95 +/- 0.83   4.061% * 20.6307% (0.28   1.0 10.00   4.19  11.35) =   1.296%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.38 +/- 1.66   5.846% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.065%
          HB2   SER   37 - HG3   LYS+  33   6.86 +/- 1.87   3.223% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+  65   8.52 +/- 1.76   0.527% *  0.0606% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  11.06 +/- 1.34   0.075% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.31 +/- 2.21   0.011% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.27 +/- 2.26   0.070% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  12.79 +/- 1.11   0.030% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.07 +/- 1.88   0.018% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.79 +/- 1.28   0.032% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.15 +/- 1.74   0.003% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.80 +/- 1.56   0.012% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  14.26 +/- 1.75   0.015% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.00 +/- 1.38   0.001% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  22.30 +/- 1.71   0.001% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.00 +/- 1.08   0.001% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.91 +/- 1.70   0.001% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  15.23 +/- 2.45   0.044% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.36 +/- 1.12   0.009% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.30 +/- 1.32   0.002% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.59 +/- 2.91   0.019% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  16.62 +/- 0.89   0.005% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.15 +/- 1.93   0.002% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  20.91 +/- 2.00   0.002% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.52 +/- 1.58   0.001% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.34 +/- 2.79   0.002% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  20.56 +/- 1.54   0.002% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  21.15 +/- 2.29   0.001% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.52 +/- 3.35   0.001% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.40 +/- 1.63   0.002% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.62 +/- 1.25   0.001% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.71 +/- 2.81   0.000% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.30 +/- 2.07   0.001% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  20.48 +/- 2.99   0.002% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.92 +/- 1.74   0.001% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.18 +/- 2.90   0.001% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.13 +/- 1.91   0.002% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.81 +/- 0.90   0.002% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  26.64 +/- 3.59   0.001% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.53 +/- 2.08   0.000% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.38 +/- 1.51   0.000% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.38 +/- 1.89   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.87 +/- 1.95   0.000% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.843, support = 6.1, residual support = 144.9:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.45 +/- 0.09  47.169% * 60.0127% (1.00  10.0 10.00   6.20 150.40) =  60.532%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.42 +/- 0.08  51.163% * 36.0742% (0.60  10.0 10.00   5.95 136.51) =  39.467%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.35 +/- 0.37   0.474% *  0.0374% (0.62   1.0  1.00   0.02  20.53) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   6.24 +/- 1.71   0.354% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.38 +/- 0.94   0.347% *  0.0282% (0.47   1.0  1.00   0.02  22.38) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.23 +/- 1.32   0.345% *  0.0150% (0.25   1.0  1.00   0.02   0.28) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.94 +/- 1.22   0.005% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  10.83 +/- 2.76   0.102% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  11.28 +/- 1.84   0.010% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.18 +/- 1.96   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.80 +/- 1.39   0.010% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.62 +/- 1.55   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  18.12 +/- 1.68   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.30 +/- 0.97   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.21 +/- 1.22   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.15 +/- 0.98   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.59 +/- 1.85   0.001% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.26 +/- 1.83   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  17.97 +/- 3.30   0.001% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  15.95 +/- 2.56   0.001% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.65 +/- 1.75   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.30 +/- 2.64   0.002% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  17.83 +/- 1.50   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.69 +/- 1.86   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  19.44 +/- 3.67   0.001% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.04 +/- 1.42   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.64 +/- 1.68   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  25.36 +/- 3.79   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.91 +/- 1.82   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  20.39 +/- 1.52   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.92 +/- 2.47   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.06 +/- 1.13   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  16.86 +/- 1.32   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.73 +/- 1.32   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  16.54 +/- 1.62   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.81 +/- 1.17   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.76 +/- 1.82   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.39 +/- 1.38   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.55 +/- 1.79   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.20 +/- 2.28   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.19 +/- 1.87   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.24 +/- 2.19   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  24.12 +/- 2.58   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.85 +/- 1.72   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.80 +/- 1.28   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.16 +/- 2.47   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  21.17 +/- 2.47   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.43 +/- 1.28   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.77 +/- 4.77   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.28 +/- 4.18   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.89 +/- 2.02   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.18 +/- 2.01   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.69 +/- 1.23   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.82 +/- 1.90   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  25.63 +/- 1.45   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.52 +/- 2.38   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 150.4:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.37 +/- 0.16  99.938% * 94.8130% (1.00  10.0 10.00   4.55 150.40) = 100.000%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.32 +/- 2.70   0.007% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   9.70 +/- 1.46   0.031% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  17.91 +/- 2.27   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  16.48 +/- 1.93   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.16 +/- 1.97   0.011% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.05 +/- 1.32   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  15.67 +/- 3.03   0.002% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.74 +/- 2.39   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.07 +/- 1.54   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  15.40 +/- 1.48   0.002% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.92 +/- 0.87   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  17.96 +/- 2.89   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  25.02 +/- 2.39   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.14 +/- 2.71   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.83 +/- 1.42   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.74 +/- 2.05   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  24.01 +/- 5.47   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  26.96 +/- 4.79   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  21.59 +/- 1.60   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.53 +/- 1.99   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.49 +/- 1.11   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.03 +/- 2.68   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.01 +/- 2.00   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.871, support = 4.63, residual support = 157.9:
      O T QE    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.37  63.070% * 42.3520% (0.77  10.0 10.00   4.28 163.64) =  57.011%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.65 +/- 0.54  36.832% * 54.6859% (1.00  10.0 10.00   5.09 150.40) =  42.989%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.11 +/- 0.54   0.067% *  0.0187% (0.34   1.0  1.00   0.02   1.41) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.53 +/- 1.58   0.019% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  18.19 +/- 2.20   0.000% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  16.69 +/- 1.89   0.000% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.02 +/- 1.93   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.44 +/- 1.51   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.67 +/- 1.72   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.98 +/- 3.48   0.002% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.13 +/- 2.12   0.004% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  18.15 +/- 1.12   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.82 +/- 1.92   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  17.41 +/- 4.44   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  19.49 +/- 1.49   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.89 +/- 1.22   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  13.92 +/- 1.61   0.001% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.72 +/- 1.91   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.34 +/- 2.16   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.14 +/- 1.75   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.95 +/- 1.56   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  22.20 +/- 1.27   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  24.72 +/- 1.79   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.07 +/- 2.61   0.001% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.70 +/- 1.71   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.90 +/- 1.85   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.87 +/- 1.78   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.81 +/- 1.95   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  24.96 +/- 2.21   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.07 +/- 1.66   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.66 +/- 1.60   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.88 +/- 2.25   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 148.9:
    *   T HA    LYS+  33 - QD    LYS+  33   3.38 +/- 0.82  85.520% * 87.2293% (1.00 10.00   4.79 150.40) =  98.992%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.05 +/- 1.40   7.550% *  9.9826% (0.97 10.00   0.24   0.02) =   1.000%  kept
        T HA    GLN   32 - QD    LYS+  33   6.44 +/- 1.29   1.843% *  0.2425% (0.28 10.00   0.02  11.35) =   0.006%
          HB2   SER   37 - QD    LYS+  33   6.90 +/- 1.08   4.447% *  0.0194% (0.22  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD    LYS+  33  10.48 +/- 1.42   0.283% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  11.40 +/- 1.82   0.194% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.78 +/- 1.13   0.091% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.51 +/- 3.41   0.042% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  19.17 +/- 1.76   0.005% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.17 +/- 3.45   0.010% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  31.96 +/- 2.49   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.85 +/- 2.43   0.004% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  32.77 +/- 2.64   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  22.77 +/- 2.39   0.002% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.52 +/- 2.85   0.001% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.33 +/- 1.89   0.002% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  21.74 +/- 1.91   0.003% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.87 +/- 2.63   0.001% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.64 +/- 2.66   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.15 +/- 2.73   0.001% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.64 +/- 2.12   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.27 +/- 2.64   0.000% *  0.0174% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 150.4:
    * O T QB    LYS+  33 - QD    LYS+  33   2.24 +/- 0.26  99.449% * 94.1852% (1.00  10.0 10.00   5.06 150.40) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.25 +/- 0.98   0.413% *  0.0235% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.41 +/- 2.34   0.054% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.91 +/- 2.98   0.029% *  0.0478% (0.51   1.0  1.00   0.02   2.17) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.99 +/- 2.66   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  16.12 +/- 1.85   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.77 +/- 2.75   0.008% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.90 +/- 0.61   0.010% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  12.66 +/- 4.33   0.015% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.46 +/- 3.12   0.014% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  16.09 +/- 3.93   0.002% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  17.81 +/- 1.22   0.001% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.02 +/- 2.89   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  25.23 +/- 2.95   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.39 +/- 1.41   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.42 +/- 1.03   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.45 +/- 2.79   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  18.59 +/- 1.05   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.73 +/- 1.64   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.10 +/- 2.35   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  24.08 +/- 3.96   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  22.34 +/- 2.80   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.19 +/- 2.17   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  24.05 +/- 1.69   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.02 +/- 2.53   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.48 +/- 1.25   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.05 +/- 2.12   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.68 +/- 2.98   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 150.4:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.37 +/- 0.16  99.563% * 93.1714% (1.00  10.0 10.00   4.55 150.40) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.67 +/- 0.98   0.154% *  0.0749% (0.80   1.0  1.00   0.02  28.14) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.31 +/- 1.70   0.092% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.32 +/- 2.70   0.007% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33  10.94 +/- 2.34   0.034% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.20 +/- 2.54   0.102% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  16.48 +/- 1.93   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  17.91 +/- 2.27   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.07 +/- 1.53   0.009% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  10.74 +/- 1.54   0.016% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  15.46 +/- 2.32   0.003% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.05 +/- 1.32   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.74 +/- 2.39   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.72 +/- 1.52   0.006% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.95 +/- 1.52   0.005% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  25.02 +/- 2.39   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.56 +/- 2.63   0.001% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.19 +/- 2.78   0.002% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  15.99 +/- 1.15   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  15.22 +/- 1.07   0.002% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.39 +/- 2.25   0.001% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.14 +/- 2.71   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.68 +/- 2.44   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.72 +/- 3.92   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.80 +/- 3.01   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.37 +/- 2.17   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.90 +/- 1.36   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.14 +/- 2.85   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.94 +/- 2.07   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.92 +/- 2.38   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 150.4:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  99.915% * 96.5704% (1.00  10.0 10.00   4.20 150.40) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.07 +/- 1.26   0.023% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   7.64 +/- 0.81   0.056% *  0.0329% (0.34   1.0  1.00   0.02   1.41) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.81 +/- 2.05   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  16.31 +/- 1.53   0.001% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.15 +/- 2.00   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  12.78 +/- 1.49   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.36 +/- 1.96   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.14 +/- 2.54   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.58 +/- 2.21   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  19.89 +/- 1.30   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.97 +/- 2.85   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.23 +/- 2.63   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.47 +/- 2.46   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.58 +/- 2.97   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  27.98 +/- 2.77   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.991, support = 5.41, residual support = 148.8:
    *   T HA    LYS+  33 - QE    LYS+  33   3.79 +/- 0.75  66.928% * 76.3050% (1.00 10.00   5.44 150.40) =  98.827%  kept
        T HA    GLN   32 - QE    LYS+  33   6.84 +/- 1.32   2.519% * 21.2156% (0.28 10.00   3.28  11.35) =   1.034%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.61 +/- 1.74   9.176% *  0.7364% (0.97 10.00   0.02   0.02) =   0.131%
          HB2   SER   37 - QE    LYS+  33   6.60 +/- 2.02  17.398% *  0.0170% (0.22  1.00   0.02   0.02) =   0.006%
          HA    VAL   18 - QE    LYS+  65   8.61 +/- 1.90   1.154% *  0.0371% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.52 +/- 1.98   0.343% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QE    LYS+  33  11.83 +/- 1.95   0.225% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   8.08 +/- 1.36   1.254% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.97 +/- 1.23   0.082% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.78 +/- 0.93   0.207% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  15.78 +/- 0.90   0.018% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.38 +/- 2.50   0.501% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  20.96 +/- 1.88   0.003% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  14.31 +/- 1.40   0.037% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  22.23 +/- 1.91   0.002% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.49 +/- 0.85   0.045% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  20.20 +/- 1.06   0.004% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  19.79 +/- 1.63   0.005% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.03 +/- 1.81   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.16 +/- 3.19   0.008% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  19.33 +/- 0.75   0.005% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  24.89 +/- 3.04   0.002% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.26 +/- 2.24   0.005% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.02 +/- 2.00   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.73 +/- 1.75   0.046% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.55 +/- 1.73   0.008% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  24.71 +/- 3.56   0.004% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.05 +/- 2.17   0.008% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.62 +/- 0.66   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  26.07 +/- 2.48   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.11 +/- 1.89   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.24 +/- 2.15   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.11 +/- 1.14   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.11 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 150.4:
    *   T QB    LYS+  33 - QE    LYS+  33   2.91 +/- 0.62  95.296% * 97.9499% (1.00 10.00   5.63 150.40) =  99.999%  kept
          HB3   GLN   90 - HB2   ASP-  76  14.02 +/- 3.34   2.740% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  33   7.05 +/- 1.11   1.255% *  0.0244% (0.25  1.00   0.02   0.28) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.18 +/- 0.70   0.384% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.78 +/- 1.54   0.099% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.07 +/- 1.81   0.005% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  11.58 +/- 1.82   0.045% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  16.08 +/- 2.43   0.009% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.29 +/- 2.00   0.015% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  16.33 +/- 1.16   0.005% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.55 +/- 1.77   0.018% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  23.36 +/- 3.74   0.006% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.80 +/- 1.41   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.80 +/- 0.97   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  19.07 +/- 1.82   0.003% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.00 +/- 1.52   0.005% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.09 +/- 2.41   0.016% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.15 +/- 1.39   0.002% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.70 +/- 1.46   0.003% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.38 +/- 2.30   0.008% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  12.33 +/- 0.84   0.026% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.32 +/- 1.47   0.006% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.68 +/- 2.02   0.021% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.73 +/- 2.02   0.004% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.35 +/- 2.13   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  24.76 +/- 2.30   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.46 +/- 1.43   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.64 +/- 1.66   0.004% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.83 +/- 1.83   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.77 +/- 2.99   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.55 +/- 1.70   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  24.35 +/- 4.19   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.53 +/- 1.96   0.006% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  19.42 +/- 2.59   0.003% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.82 +/- 1.43   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.01 +/- 1.85   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.39 +/- 1.35   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.05 +/- 1.46   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.62 +/- 2.09   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.18 +/- 0.97   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  25.80 +/- 0.67   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.26 +/- 2.62   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.772, support = 4.71, residual support = 156.6:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.65 +/- 0.54  36.629% * 63.8684% (1.00  10.0 10.00   5.09 150.40) =  53.418%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.29 +/- 0.37  62.691% * 32.5421% (0.51  10.0 10.00   4.28 163.64) =  46.582%  kept
          HB3   LEU   73 - QE    LYS+  33   9.98 +/- 1.51   0.015% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  33  10.84 +/- 2.51   0.013% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.84 +/- 0.77   0.386% *  0.0015% (0.02   1.0  1.00   0.02   2.89) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.32 +/- 0.99   0.159% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  16.69 +/- 1.89   0.000% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  18.19 +/- 2.20   0.000% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  12.44 +/- 1.63   0.003% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.22 +/- 0.83   0.071% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.09 +/- 1.38   0.005% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.43 +/- 1.32   0.003% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.44 +/- 1.51   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  19.02 +/- 1.93   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  13.83 +/- 2.22   0.002% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.80 +/- 0.77   0.005% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.67 +/- 1.72   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.32 +/- 1.56   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.41 +/- 1.52   0.001% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.35 +/- 2.00   0.004% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  18.15 +/- 1.12   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.40 +/- 1.38   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.82 +/- 1.92   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  19.49 +/- 1.49   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.72 +/- 1.91   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  17.28 +/- 1.75   0.000% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  16.49 +/- 1.45   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.21 +/- 2.11   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.99 +/- 1.17   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  15.90 +/- 1.26   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.75 +/- 0.90   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.88 +/- 2.47   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.71 +/- 1.40   0.002% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  24.72 +/- 1.79   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.01 +/- 1.15   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.49 +/- 1.95   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  22.94 +/- 4.00   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.43 +/- 1.47   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.55 +/- 2.97   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.15 +/- 1.38   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.70 +/- 2.28   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  22.05 +/- 1.61   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.57 +/- 1.88   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  23.40 +/- 2.31   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.22 +/- 2.39   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 150.4:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  99.913% * 97.4730% (1.00  10.0 10.00   4.20 150.40) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.58 +/- 1.68   0.035% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.36 +/- 1.11   0.036% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.81 +/- 2.05   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.47 +/- 2.15   0.007% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  16.31 +/- 1.53   0.001% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.15 +/- 2.00   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.96 +/- 1.58   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  15.32 +/- 2.67   0.001% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.69 +/- 1.67   0.003% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.08 +/- 1.96   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.14 +/- 2.54   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.66 +/- 2.27   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.58 +/- 2.21   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  24.93 +/- 4.65   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  16.22 +/- 2.65   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.53 +/- 3.06   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.08 +/- 2.92   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.6:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  94.195% * 99.3602% (0.80  10.0 10.00   1.93  25.58) =  99.998%  kept
          QG2   THR   39 - HA    ALA   34   4.42 +/- 0.93   5.728% *  0.0308% (0.25   1.0  1.00   0.02   4.65) =   0.002%
          HG3   LYS+  38 - HA    ALA   34   7.17 +/- 0.50   0.072% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  19.39 +/- 5.03   0.000% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.77 +/- 0.64   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.88 +/- 6.08   0.003% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.11 +/- 1.60   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.31 +/- 1.66   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.68 +/- 0.87   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.63 +/- 0.83   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  23.70 +/- 7.70   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  23.10 +/- 2.53   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  28.88 +/- 2.67   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.60 +/- 1.85   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.6:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  99.343% * 98.8230% (0.80  10.0 10.00   1.93  25.58) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   6.48 +/- 1.84   0.457% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.98 +/- 0.17   0.081% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.66 +/- 0.02   0.105% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.56 +/- 0.34   0.012% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  19.39 +/- 5.03   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.87 +/- 1.78   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.76 +/- 1.09   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.00 +/- 0.61   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.25 +/- 1.22   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 55.5:
    * O T HB2   ASN   35 - HA    ASN   35   2.74 +/- 0.07  99.463% * 98.4270% (1.00  10.0 10.00   4.04  55.50) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.79 +/- 0.85   0.056% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.24 +/- 0.92   0.193% *  0.0336% (0.34   1.0  1.00   0.02   1.41) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.53 +/- 0.46   0.011% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15   9.98 +/- 1.86   0.084% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  10.02 +/- 2.08   0.115% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.78 +/- 1.55   0.044% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.67 +/- 0.63   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  17.20 +/- 1.63   0.002% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.85 +/- 3.15   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.53 +/- 1.07   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.90 +/- 1.15   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.83 +/- 2.59   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.27 +/- 1.13   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  16.27 +/- 1.80   0.003% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.29 +/- 1.59   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  14.78 +/- 1.35   0.005% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.72 +/- 1.28   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.40 +/- 1.65   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.37 +/- 1.10   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  20.79 +/- 1.33   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 86.8:
    * O T QB    GLU-  36 - HA    GLU-  36   2.43 +/- 0.18  99.960% * 98.9106% (1.00  10.0 10.00   5.58  86.75) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  11.93 +/- 0.61   0.008% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.47 +/- 2.10   0.028% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.66 +/- 0.53   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  24.92 +/- 1.08   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.24 +/- 1.18   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.60 +/- 0.81  99.997% * 99.8378% (1.00  10.0 10.00   3.62  86.75) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.63 +/- 1.36   0.002% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  22.46 +/- 2.75   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  27.99 +/- 0.84   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.42 +/- 0.10  99.987% * 99.2256% (1.00  10.0 10.00   3.62  86.75) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  19.06 +/- 3.39   0.008% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  18.59 +/- 0.53   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.25 +/- 1.19   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.02 +/- 1.20   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.19 +/- 1.26   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.29 +/- 1.85   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.60 +/- 0.81  99.998% * 99.7630% (1.00  10.0 10.00   3.62  86.75) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  28.85 +/- 7.50   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  26.53 +/- 1.23   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  24.09 +/- 2.33   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.78 +/- 2.16   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.51 +/- 0.05  99.963% * 98.9106% (1.00  10.0 10.00   4.30  86.75) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.00 +/- 0.94   0.016% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.73 +/- 0.90   0.007% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.92 +/- 2.18   0.014% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  24.41 +/- 1.50   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  31.28 +/- 2.03   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 99.2256% (1.00  10.0 10.00   3.00  86.75) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  18.19 +/- 3.55   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.77 +/- 0.72   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.71 +/- 1.74   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.52 +/- 1.81   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.18 +/- 1.97   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.23 +/- 2.36   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   3.42 +/- 0.10  99.985% * 99.6097% (1.00  10.0 10.00   3.62  86.75) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  19.06 +/- 3.39   0.008% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.55 +/- 0.62   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  29.44 +/- 7.21   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  24.48 +/- 1.95   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.11 +/- 1.71   0.004% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  32.92 +/- 1.80   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.89 +/- 5.31   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  32.22 +/- 2.23   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.92 +/- 2.08   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.24 +/- 0.08  99.978% * 99.4418% (1.00  10.0  1.00   4.30  86.75) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.45 +/- 0.97   0.011% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.16 +/- 1.13   0.004% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.87 +/- 2.17   0.005% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.80 +/- 2.88   0.002% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.20 +/- 1.35   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  28.59 +/- 2.27   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  20.18 +/- 2.47   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  31.58 +/- 1.49   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  22.20 +/- 2.50   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  36.09 +/- 3.66   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.08 +/- 2.60   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 99.6937% (1.00  10.0 10.00   3.00  86.75) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  18.19 +/- 3.55   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.90 +/- 1.32   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.86 +/- 2.49   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  28.31 +/- 1.53   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.08 +/- 1.51   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  28.53 +/- 1.67   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  31.64 +/- 2.59   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 = 26.3:
    * O T HB2   SER   37 - HA    SER   37   2.69 +/- 0.14  99.310% * 98.0025% (1.00  10.0 10.00   2.57  26.26) = 100.000%  kept
        T HB2   SER   37 - HA    SER   13  13.38 +/- 3.10   0.038% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   37   6.53 +/- 0.44   0.545% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.10 +/- 0.80   0.045% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.35 +/- 1.06   0.036% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.42 +/- 1.60   0.004% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  15.66 +/- 2.00   0.005% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  13.54 +/- 1.77   0.009% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.53 +/- 0.77   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  18.97 +/- 1.20   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.74 +/- 2.92   0.006% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.54 +/- 0.70   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.93 +/- 3.46   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.75 +/- 0.72   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  27.74 +/- 2.21   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.546, support = 2.19, residual support = 15.3:
      O T QB    SER   13 - HA    SER   13   2.41 +/- 0.14  77.027% * 28.4793% (0.35  10.0 10.00   1.93   7.71) =  59.055%  kept
    * O T HB3   SER   37 - HA    SER   37   2.98 +/- 0.09  22.101% * 68.8149% (0.84  10.0 10.00   2.57  26.26) =  40.943%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.64   0.643% *  0.0566% (0.69   1.0  1.00   0.02   2.94) =   0.001%
          HA    ILE   89 - HA    THR   46   9.21 +/- 1.56   0.198% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  14.12 +/- 3.30   0.010% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.73 +/- 3.11   0.011% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.09 +/- 1.40   0.003% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.84 +/- 2.56   0.006% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.90 +/- 0.69   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.63 +/- 1.10   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.76 +/- 0.84   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.83 +/- 0.92   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.59 +/- 2.88   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.11 +/- 0.71   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.30 +/- 1.69   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  26.48 +/- 2.24   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.68 +/- 2.52   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.89 +/- 1.77   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.57, residual support = 26.3:
    * O T HA    SER   37 - HB2   SER   37   2.69 +/- 0.14  99.728% * 98.1694% (1.00  10.0 10.00   2.57  26.26) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  13.38 +/- 3.10   0.038% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   7.94 +/- 0.34   0.175% *  0.0368% (0.38   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.22 +/- 1.96   0.046% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.88 +/- 0.48   0.009% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.36 +/- 1.30   0.004% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.53 +/- 0.77   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.66 +/- 1.47   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.3:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  94.731% * 98.8953% (0.84  10.0 10.00   2.00  26.26) =  99.995%  kept
          HB    THR   39 - HB2   SER   37   3.27 +/- 0.74   5.264% *  0.0813% (0.69   1.0  1.00   0.02   2.94) =   0.005%
        T QB    SER   13 - HB2   SER   37  12.77 +/- 3.05   0.005% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  23.37 +/- 2.82   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.42 +/- 0.68   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  25.50 +/- 2.20   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.551, support = 2.19, residual support = 15.1:
      O T HA    SER   13 - QB    SER   13   2.41 +/- 0.14  77.396% * 29.4827% (0.36  10.0 10.00   1.93   7.71) =  60.124%  kept
    * O T HA    SER   37 - HB3   SER   37   2.98 +/- 0.09  22.239% * 68.0513% (0.84  10.0 10.00   2.57  26.26) =  39.875%  kept
          HA    GLU-  15 - QB    SER   13   6.74 +/- 0.96   0.254% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.12 +/- 3.30   0.010% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.73 +/- 3.11   0.011% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.04 +/- 0.42   0.059% *  0.0255% (0.31   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLN   17 - QB    SER   13  10.67 +/- 0.79   0.011% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.36 +/- 1.82   0.012% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.57 +/- 0.56   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.46 +/- 1.17   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.90 +/- 0.69   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.63 +/- 1.10   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.88 +/- 2.15   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.17 +/- 1.44   0.000% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.88 +/- 1.29   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.73 +/- 1.41   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.3:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.774% * 98.1382% (0.84  10.0 10.00   2.00  26.26) = 100.000%  kept
        T HA    VAL   70 - HB3   SER   37   8.45 +/- 1.26   0.011% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   5.13 +/- 0.55   0.200% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.77 +/- 3.05   0.005% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.50 +/- 1.74   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   8.91 +/- 0.75   0.007% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  13.39 +/- 1.53   0.001% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  15.16 +/- 2.71   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.88 +/- 3.36   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.70 +/- 2.14   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 218.3:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.83 +/- 0.18  97.693% * 99.6880% (1.00  10.0 10.00   6.57 218.26) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   6.33 +/- 2.18   2.241% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.57 +/- 0.93   0.024% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  15.99 +/- 0.68   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.10 +/- 0.60   0.007% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.91 +/- 1.64   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.81 +/- 0.54   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.07 +/- 1.52   0.021% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.42 +/- 1.75   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.83 +/- 1.67   0.004% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.33 +/- 1.14   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.29 +/- 1.57   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.74 +/- 1.71   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.46 +/- 0.95   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 218.3:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.63 +/- 0.19  92.565% * 98.2125% (1.00  10.0 10.00   5.89 218.26) =  99.995%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.19 +/- 2.24   7.185% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HA    LYS+  38   7.96 +/- 0.41   0.140% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  12.04 +/- 0.56   0.011% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.56 +/- 1.72   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  13.77 +/- 1.85   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.55 +/- 1.13   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.35 +/- 1.70   0.038% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.10 +/- 1.38   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.94 +/- 1.67   0.009% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  28.06 +/- 1.06   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.71 +/- 0.31   0.022% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.23 +/- 0.64   0.004% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.75 +/- 1.13   0.007% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.25 +/- 1.77   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.37 +/- 0.87   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  27.38 +/- 1.24   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.56 +/- 0.82   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.06 +/- 1.35   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.01 +/- 2.30   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.71 +/- 1.35   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.51 +/- 1.20   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  26.25 +/- 1.52   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  27.04 +/- 0.87   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  26.18 +/- 0.99   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.72 +/- 2.03   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.995, support = 6.9, residual support = 217.3:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.81 +/- 0.55  85.098% * 93.0706% (1.00  10.0 10.00   6.90 218.26) =  99.459%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.65 +/- 0.41   7.522% *  5.5125% (0.06   1.0 10.00   5.88  39.65) =   0.521%  kept
        T HG2   LYS+  99 - HA    LYS+  38   7.23 +/- 1.70   1.482% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.017%
        T HG2   LYS+  38 - HA    GLU- 100   5.65 +/- 1.94   4.600% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    LYS+  38   9.99 +/- 0.42   0.065% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.44 +/- 2.34   0.238% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.14 +/- 1.62   0.913% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  10.25 +/- 1.58   0.066% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  20.58 +/- 1.13   0.001% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  19.80 +/- 6.16   0.002% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  19.85 +/- 1.00   0.001% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.16 +/- 0.47   0.001% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.05 +/- 0.91   0.001% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.14 +/- 1.02   0.001% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.14 +/- 2.94   0.000% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  18.67 +/- 1.29   0.002% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  19.39 +/- 5.96   0.003% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.27 +/- 1.21   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.32 +/- 0.85   0.002% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.21 +/- 1.47   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.46 +/- 1.31   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.95 +/- 2.79   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.14 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.61, residual support = 215.7:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.97 +/- 0.81  62.457% * 81.4839% (1.00  10.0 10.00   6.63 218.26) =  98.694%  kept
          QG2   THR   39 - HA    LYS+  38   5.56 +/- 0.49   3.713% * 17.7659% (0.90   1.0  1.00   4.86  22.82) =   1.279%  kept
          QB    ALA   34 - HA    LYS+  38   4.37 +/- 0.19   9.279% *  0.0652% (0.80   1.0  1.00   0.02   0.02) =   0.012%
        T HG3   LYS+  38 - HA    GLU- 100   5.31 +/- 2.62   9.997% *  0.0492% (0.06   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+  99 - HA    LYS+  38   7.59 +/- 1.40   0.432% *  0.3058% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HA    GLU- 100   5.10 +/- 0.64   6.366% *  0.0185% (0.02   1.0 10.00   0.02  39.65) =   0.002%
          QB    ALA   34 - HA    GLU- 100   5.35 +/- 1.61   6.805% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   7.38 +/- 1.66   0.799% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38  10.16 +/- 1.68   0.096% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  14.69 +/- 1.05   0.008% *  0.0461% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  11.73 +/- 1.43   0.037% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.20 +/- 0.53   0.001% *  0.0365% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  22.09 +/- 1.66   0.001% *  0.0771% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.33 +/- 1.05   0.000% *  0.0731% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.05 +/- 0.91   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.16 +/- 1.63   0.005% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.14 +/- 1.73   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.72 +/- 1.20   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.80 +/- 1.30   0.001% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.98 +/- 1.30   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 218.2:
    *   T QD    LYS+  38 - HA    LYS+  38   3.79 +/- 0.25  69.319% * 97.0123% (1.00 10.00   6.01 218.26) =  99.974%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.06 +/- 1.69  28.080% *  0.0586% (0.06 10.00   0.02   0.02) =   0.024%
          QD    LYS+ 102 - HA    LYS+  38  10.38 +/- 2.62   1.060% *  0.0777% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   7.73 +/- 1.11   1.497% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.45 +/- 1.57   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  20.89 +/- 2.22   0.003% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  19.79 +/- 0.69   0.004% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  20.99 +/- 5.39   0.005% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  20.01 +/- 2.05   0.004% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  23.78 +/- 5.73   0.002% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.16 +/- 1.02   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  29.68 +/- 2.35   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.72 +/- 1.49   0.004% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  19.20 +/- 5.43   0.009% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.27 +/- 1.28   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.76 +/- 0.70   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.52 +/- 2.15   0.001% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  22.70 +/- 5.58   0.003% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.76 +/- 0.96   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  26.32 +/- 0.81   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.21 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 218.3:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.83 +/- 0.18  97.757% * 99.6785% (1.00  10.0 10.00   6.57 218.26) =  99.995%  kept
        T HA    GLU- 100 - HB2   LYS+  38   6.33 +/- 2.18   2.242% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   24 - HB2   LYS+  38  21.15 +/- 0.49   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  23.90 +/- 2.61   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  30.32 +/- 1.17   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 218.3:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.31 218.26) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.08 +/- 0.47   0.005% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.28 +/- 0.52   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.04 +/- 1.98   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.94 +/- 1.82   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.66 +/- 1.10   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.05 +/- 1.35   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 +/- 1.39   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.71 +/- 0.92   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  29.48 +/- 1.20   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  29.72 +/- 1.20   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  31.09 +/- 0.83   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.39 +/- 1.77   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 218.3:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.63 +/- 0.20  99.823% * 98.5858% (1.00  10.0 10.00   5.95 218.26) =  99.999%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.65 +/- 1.79   0.139% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB2   LYS+  38  12.40 +/- 0.54   0.010% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.03 +/- 2.36   0.024% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  20.16 +/- 6.61   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  22.78 +/- 1.24   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  21.55 +/- 1.07   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.33 +/- 0.93   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  23.64 +/- 0.95   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.50 +/- 0.44   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.35 +/- 2.93   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 218.3:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.74 +/- 0.38  97.976% * 99.1122% (1.00  10.0 10.00   5.65 218.26) =  99.998%  kept
          QG2   THR   39 - HB2   LYS+  38   6.11 +/- 0.42   1.063% *  0.0889% (0.90   1.0  1.00   0.02  22.82) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.96 +/- 1.55   0.236% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.50 +/- 0.21   0.691% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  11.44 +/- 1.82   0.030% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.30 +/- 1.10   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.90 +/- 1.60   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.97 +/- 0.60   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.49 +/- 1.06   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.34 +/- 0.85   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 218.2:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.63 +/- 0.19  92.800% * 99.5407% (1.00  10.0 10.00   5.89 218.26) =  99.983%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.19 +/- 2.24   7.199% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.017%
          HA    VAL   24 - HB3   LYS+  38  21.23 +/- 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  29.55 +/- 1.17   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.55 +/- 2.59   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 218.3:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.998% * 99.2933% (1.00  10.0 10.00   5.31 218.26) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.99 +/- 0.96   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.45 +/- 0.77   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.53 +/- 0.69   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.91 +/- 1.67   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.22 +/- 1.25   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.34 +/- 0.60   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.2:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.99 +/- 0.07  98.156% * 98.5858% (1.00  10.0 10.00   5.63 218.26) =  99.983%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   7.10 +/- 1.90   1.721% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.017%
          HG    LEU   98 - HB3   LYS+  38  11.96 +/- 2.35   0.094% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  38  12.53 +/- 0.54   0.019% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  19.18 +/- 6.62   0.006% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.06 +/- 1.24   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  20.63 +/- 1.09   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.77 +/- 0.50   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.86 +/- 0.99   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.44 +/- 0.96   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.05 +/- 2.97   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 218.3:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.67 +/- 0.16  97.926% * 98.2829% (1.00  10.0 10.00   5.40 218.26) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.37 +/- 1.65   0.535% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   5.94 +/- 0.41   0.949% *  0.0881% (0.90   1.0  1.00   0.02  22.82) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.41 +/- 0.21   0.561% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  11.45 +/- 1.57   0.026% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  23.13 +/- 1.65   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.39 +/- 1.11   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.26 +/- 0.57   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.70 +/- 1.13   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  21.99 +/- 0.92   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 218.3:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.26 +/- 0.18  99.567% * 98.0597% (1.00  10.0 10.00   4.63 218.26) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  10.73 +/- 2.81   0.432% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  21.03 +/- 1.68   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  21.63 +/- 0.70   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  21.09 +/- 5.68   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  23.59 +/- 6.12   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  23.22 +/- 2.24   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.48 +/- 2.45   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.70 +/- 1.36   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  29.38 +/- 0.81   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 218.2:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.81 +/- 0.55  86.101% * 99.3217% (1.00  10.0 10.00   6.90 218.26) =  99.978%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.65 +/- 1.94   4.757% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HA    GLU- 100 - HG2   LYS+  99   4.65 +/- 0.41   7.647% *  0.0603% (0.06   1.0 10.00   0.02  39.65) =   0.005%
        T HA    LYS+  38 - HG2   LYS+  99   7.23 +/- 1.70   1.492% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   24 - HG2   LYS+  38  20.64 +/- 0.82   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.73 +/- 1.31   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  23.30 +/- 2.75   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  21.58 +/- 2.57   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.37 +/- 1.51   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  25.73 +/- 1.34   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 218.3:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.63 +/- 0.20  99.762% * 99.4277% (1.00  10.0 10.00   5.95 218.26) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.65 +/- 1.79   0.139% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.06 +/- 2.01   0.030% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.84 +/- 1.88   0.060% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.35 +/- 0.87   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.50 +/- 0.63   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.24 +/- 2.09   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.38 +/- 0.80   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.49 +/- 1.63   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.57 +/- 1.20   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.73 +/- 1.37   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.48 +/- 1.07   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.45 +/- 1.41   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  26.27 +/- 1.22   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 218.3:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.99 +/- 0.07  97.906% * 98.9095% (1.00  10.0 10.00   5.63 218.26) =  99.995%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   7.10 +/- 1.90   1.716% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HG2   LYS+  38   9.17 +/- 0.50   0.129% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  14.03 +/- 0.55   0.010% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.71 +/- 1.14   0.071% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.17 +/- 0.43   0.066% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.56 +/- 0.64   0.019% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.69 +/- 1.34   0.023% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.43 +/- 1.89   0.008% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.92 +/- 1.29   0.008% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.09 +/- 2.88   0.031% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.33 +/- 1.00   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.53 +/- 2.44   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.80 +/- 1.32   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.17 +/- 0.96   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.35 +/- 1.34   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.99 +/- 1.47   0.000% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.74 +/- 0.68   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.88 +/- 1.63   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.90 +/- 0.72   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.62 +/- 1.26   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  25.23 +/- 1.46   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.20 +/- 1.29   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.86 +/- 0.90   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  33.30 +/- 1.97   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.25 +/- 1.60   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.917, support = 6.45, residual support = 214.0:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.930% * 89.3422% (1.00  10.0 10.00   6.44 218.26) =  90.720%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.930% *  9.1383% (0.10  10.0 10.00   6.60 171.80) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   8.01 +/- 2.15   0.036% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.68 +/- 1.15   0.035% *  0.0801% (0.90   1.0  1.00   0.02  22.82) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.74 +/- 1.37   0.006% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.29 +/- 0.32   0.025% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   7.16 +/- 1.65   0.020% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.37 +/- 1.16   0.017% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.65 +/- 1.63   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.84 +/- 1.59   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  16.47 +/- 1.49   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.19 +/- 0.94   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.78 +/- 1.11   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.41 +/- 1.38   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.69 +/- 0.56   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.79 +/- 1.57   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.44 +/- 1.57   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.13 +/- 1.11   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  20.92 +/- 1.31   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.43 +/- 1.00   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 218.3:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.45 +/- 0.16  99.366% * 96.4250% (1.00  10.0 10.00   5.75 218.26) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.88 +/- 1.35   0.422% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  38  11.22 +/- 2.75   0.049% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  99   8.35 +/- 1.57   0.153% *  0.2104% (0.22   1.0 10.00   0.02   1.96) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.74 +/- 2.11   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  15.50 +/- 5.64   0.006% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.28 +/- 1.21   0.000% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  21.88 +/- 0.89   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.23 +/- 1.31   0.001% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  22.57 +/- 5.52   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  18.82 +/- 5.92   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  23.00 +/- 2.20   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.88 +/- 2.37   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  25.14 +/- 6.11   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.55 +/- 2.41   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  21.38 +/- 2.09   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.42 +/- 1.18   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.10 +/- 1.10   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.96 +/- 0.66   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  25.08 +/- 0.61   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 218.2:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.97 +/- 0.81  77.275% * 99.5416% (1.00  10.0 10.00   6.63 218.26) =  99.963%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.31 +/- 2.62  11.200% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.032%
        T HA    GLU- 100 - HG3   LYS+  99   5.10 +/- 0.64  10.676% *  0.0231% (0.02   1.0 10.00   0.02  39.65) =   0.003%
        T HA    LYS+  38 - HG3   LYS+  99   7.59 +/- 1.40   0.844% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  21.03 +/- 1.19   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  23.46 +/- 2.81   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.99 +/- 1.22   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  21.72 +/- 2.48   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  30.39 +/- 1.11   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.59 +/- 1.25   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.17 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 218.3:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.74 +/- 0.38  99.651% * 99.6340% (1.00  10.0 10.00   5.65 218.26) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.96 +/- 1.55   0.242% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.11 +/- 1.51   0.013% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.82 +/- 1.76   0.083% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.01 +/- 0.78   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.16 +/- 0.62   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.57 +/- 1.85   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.95 +/- 0.90   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.85 +/- 1.61   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.68 +/- 1.33   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  30.52 +/- 1.62   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.10 +/- 1.31   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.78 +/- 1.27   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  26.26 +/- 1.08   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 218.3:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.67 +/- 0.16  99.285% * 98.2474% (1.00  10.0 10.00   5.40 218.26) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.37 +/- 1.65   0.541% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.78 +/- 0.48   0.044% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.50 +/- 0.82   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  14.99 +/- 2.35   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.40 +/- 0.86   0.035% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.07 +/- 0.63   0.040% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.06 +/- 1.71   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.43 +/- 0.74   0.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.53 +/- 2.12   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.27 +/- 1.34   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.42 +/- 1.79   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.03 +/- 2.70   0.018% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.03 +/- 1.15   0.009% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.24 +/- 1.25   0.004% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.80 +/- 1.16   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.41 +/- 1.35   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.71 +/- 1.50   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  29.89 +/- 1.30   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.22 +/- 1.94   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.81 +/- 0.69   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  25.07 +/- 1.31   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.76 +/- 1.02   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  33.40 +/- 1.68   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.83 +/- 0.94   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.19 +/- 1.62   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.45, residual support = 214.0:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.974% * 89.3736% (1.00  10.0 10.00   6.44 218.26) =  90.720%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.974% *  9.1415% (0.10  10.0 10.00   6.60 171.80) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   8.01 +/- 2.15   0.036% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HG3   LYS+  99   8.74 +/- 1.37   0.006% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.19 +/- 1.28   0.001% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.36 +/- 2.65   0.002% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.45 +/- 1.09   0.006% *  0.0014% (0.02   1.0  1.00   0.02  19.05) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.66 +/- 1.26   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.88 +/- 5.99   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  20.31 +/- 6.47   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.23 +/- 1.63   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.19 +/- 2.84   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.64 +/- 1.12   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.04 +/- 1.50   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.38 +/- 1.34   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.41 +/- 1.01   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.54 +/- 1.34   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  18.74 +/- 1.40   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.20 +/- 0.93   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.78 +/- 3.00   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.29 +/- 1.24   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.02 +/- 1.09   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 218.3:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.30 +/- 0.14  99.589% * 97.6899% (1.00  10.0 10.00   5.42 218.26) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   7.05 +/- 1.31   0.292% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.38 +/- 1.31   0.072% *  0.0816% (0.08   1.0 10.00   0.02   1.96) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  10.74 +/- 3.22   0.039% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.88 +/- 1.80   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 +/- 1.03   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  15.10 +/- 5.40   0.004% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.26 +/- 1.47   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  22.22 +/- 5.57   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.31 +/- 1.07   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  23.20 +/- 2.22   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  18.49 +/- 5.63   0.001% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  24.83 +/- 5.89   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.27 +/- 2.50   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.53 +/- 2.30   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  21.53 +/- 2.01   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.38 +/- 1.73   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.00 +/- 0.97   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.92 +/- 1.24   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.99 +/- 0.70   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 218.1:
    *   T HA    LYS+  38 - QD    LYS+  38   3.79 +/- 0.25  71.073% * 98.6212% (1.00 10.00   6.01 218.26) =  99.911%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.06 +/- 1.69  28.490% *  0.2196% (0.22 10.00   0.02   0.02) =   0.089%
        T HD2   PRO   58 - QD    LYS+  65  10.91 +/- 1.13   0.171% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.05 +/- 1.46   0.101% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  14.35 +/- 1.26   0.030% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  12.20 +/- 1.04   0.075% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  19.79 +/- 0.69   0.004% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.45 +/- 1.57   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  22.03 +/- 2.53   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  19.72 +/- 1.49   0.004% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  20.13 +/- 0.60   0.003% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.16 +/- 1.02   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.75 +/- 1.34   0.000% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  23.82 +/- 1.90   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.71 +/- 2.44   0.033% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  21.49 +/- 1.98   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.68 +/- 2.35   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.52 +/- 2.15   0.001% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.94 +/- 2.26   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.90 +/- 2.43   0.002% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 218.3:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.73 +/- 0.38  93.025% * 99.6020% (1.00  10.0   4.94 218.26) = 100.000%  kept
          QG    GLN   17 - QD    LYS+  65   5.82 +/- 2.05   6.734% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.10 +/- 1.60   0.057% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74   9.90 +/- 1.09   0.082% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  15.73 +/- 2.88   0.021% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.90 +/- 1.51   0.049% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.57 +/- 0.71   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.95 +/- 0.52   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.38 +/- 1.67   0.003% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.88 +/- 1.27   0.002% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.47 +/- 0.98   0.008% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  15.79 +/- 0.81   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  16.00 +/- 0.82   0.003% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.09 +/- 0.50   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  17.14 +/- 3.37   0.004% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  21.39 +/- 1.80   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.04 +/- 0.73   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  24.10 +/- 3.45   0.001% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  22.88 +/- 2.33   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.00 +/- 1.07   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  21.07 +/- 1.91   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.51 +/- 1.85   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.57 +/- 2.51   0.000% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  23.26 +/- 1.80   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.81 +/- 2.40   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.19 +/- 2.25   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.29 +/- 2.09   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.47 +/- 2.20   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 218.3:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.26 +/- 0.18  99.734% * 98.4611% (1.00  10.0 10.00   4.63 218.26) = 100.000%  kept
        T QB    LYS+ 106 - HD2   LYS+ 111  11.42 +/- 1.88   0.015% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.83 +/- 1.23   0.054% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38  10.03 +/- 0.41   0.015% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.14 +/- 2.95   0.042% *  0.0072% (0.07   1.0  1.00   0.02   2.17) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.34 +/- 3.06   0.034% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.53 +/- 1.80   0.008% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.43 +/- 0.95   0.002% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.23 +/- 0.71   0.008% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  14.33 +/- 0.54   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.41 +/- 1.42   0.005% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.39 +/- 1.62   0.025% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.00 +/- 1.60   0.005% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.54 +/- 2.18   0.013% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  12.77 +/- 1.24   0.004% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.69 +/- 2.17   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  15.45 +/- 2.62   0.005% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.72 +/- 1.45   0.003% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.37 +/- 0.93   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.41 +/- 1.55   0.003% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  21.03 +/- 1.68   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.54 +/- 1.22   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.63 +/- 0.70   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.91 +/- 1.10   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.65 +/- 1.60   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.62 +/- 1.91   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.61 +/- 2.22   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.27 +/- 3.78   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  15.74 +/- 1.38   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.03 +/- 1.70   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.77 +/- 2.02   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.10 +/- 2.03   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  19.81 +/- 2.13   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.67 +/- 1.33   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  23.60 +/- 3.32   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.61 +/- 0.89   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.05 +/- 1.32   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  17.91 +/- 1.48   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.46 +/- 2.65   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.62 +/- 1.20   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  28.16 +/- 0.82   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  27.20 +/- 1.38   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.48 +/- 2.45   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.72 +/- 1.08   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  22.73 +/- 1.74   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  21.89 +/- 1.50   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  22.43 +/- 2.78   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.56 +/- 2.22   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.62 +/- 1.72   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.81 +/- 2.14   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.42 +/- 2.68   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.88 +/- 1.96   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.979, support = 5.76, residual support = 220.5:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.45 +/- 0.16  66.146% * 91.2181% (1.00  10.0 10.00   5.75 218.26) =  97.725%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.89 +/- 0.12  25.496% *  5.4974% (0.06  10.0 10.00   6.21 315.54) =   2.270%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.88 +/- 1.35   0.282% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HD2   LYS+  74   4.55 +/- 1.15   7.781% *  0.0068% (0.07   1.0  1.00   0.02   6.12) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   7.53 +/- 1.10   0.107% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  13.96 +/- 2.88   0.057% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.29 +/- 0.62   0.050% *  0.0075% (0.08   1.0  1.00   0.02   1.31) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.23 +/- 0.50   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.63 +/- 2.13   0.017% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.16 +/- 1.01   0.018% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  10.97 +/- 1.33   0.011% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  18.40 +/- 2.38   0.001% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.23 +/- 1.31   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.28 +/- 1.21   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.45 +/- 1.70   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.35 +/- 1.42   0.005% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.77 +/- 6.15   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.73 +/- 2.63   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.74 +/- 2.11   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  21.88 +/- 0.89   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.30 +/- 0.86   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.38 +/- 1.13   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.20 +/- 2.94   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.46 +/- 2.72   0.004% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.76 +/- 1.11   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.68 +/- 3.07   0.001% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.10 +/- 1.94   0.003% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.53 +/- 1.08   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.06 +/- 1.48   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.92 +/- 0.80   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.97 +/- 1.21   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.85 +/- 1.94   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.11 +/- 1.00   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.88 +/- 2.37   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.65 +/- 2.25   0.002% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.23 +/- 1.74   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.24 +/- 2.01   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.72 +/- 2.42   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.55 +/- 2.41   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 1.43   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.57 +/- 1.33   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.89 +/- 2.02   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.75 +/- 2.66   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.07 +/- 2.22   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.978, support = 5.42, residual support = 217.5:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.14  74.918% * 91.1914% (1.00  10.0 10.00   5.42 218.26) =  97.630%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.80 +/- 0.20  24.292% *  6.8213% (0.07  10.0 10.00   5.54 187.34) =   2.368%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.05 +/- 1.31   0.227% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  38   6.67 +/- 0.64   0.197% *  0.0818% (0.90   1.0  1.00   0.02  22.82) =   0.000%
          QB    ALA   34 - QD    LYS+  38   6.94 +/- 0.30   0.120% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.15 +/- 1.64   0.032% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   8.74 +/- 1.06   0.043% *  0.0113% (0.12   1.0  1.00   0.02   8.65) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  10.34 +/- 3.00   0.070% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.92 +/- 1.92   0.006% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   8.97 +/- 1.92   0.039% *  0.0065% (0.07   1.0  1.00   0.02   2.17) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.71 +/- 1.34   0.006% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.16 +/- 2.12   0.013% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.42 +/- 0.97   0.006% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.10 +/- 1.23   0.004% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.54 +/- 1.34   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.23 +/- 0.74   0.006% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.46 +/- 0.64   0.003% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.12 +/- 0.98   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.24 +/- 1.33   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.60 +/- 0.99   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.88 +/- 1.80   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.10 +/- 1.03   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.31 +/- 1.07   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.98 +/- 1.23   0.003% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.26 +/- 1.47   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.85 +/- 1.44   0.003% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  15.05 +/- 1.40   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.70 +/- 1.50   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  17.99 +/- 2.08   0.001% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  20.07 +/- 0.51   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.94 +/- 1.18   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.94 +/- 2.11   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.14 +/- 1.55   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.53 +/- 2.30   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.27 +/- 2.50   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.84 +/- 1.86   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.56 +/- 1.80   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  25.63 +/- 1.88   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.38 +/- 1.89   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.24 +/- 2.91   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.4:
    * O T HB    THR   39 - HA    THR   39   2.92 +/- 0.19  96.930% * 98.6574% (1.00  10.0 10.00   3.00  38.36) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.34 +/- 0.39   2.977% *  0.0952% (0.97   1.0  1.00   0.02   2.94) =   0.003%
        T HB    THR   39 - HA    ILE  103  12.89 +/- 1.17   0.016% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.75 +/- 2.58   0.011% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.75 +/- 0.78   0.027% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  14.00 +/- 3.49   0.018% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  15.12 +/- 1.83   0.007% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.04 +/- 1.43   0.006% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  19.83 +/- 3.07   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.55 +/- 1.23   0.005% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  23.42 +/- 0.58   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.96 +/- 2.56   0.001% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.47 +/- 1.71   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  25.30 +/- 1.89   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  31.05 +/- 1.44   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.07 +/- 1.92   0.000% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T QG2   THR   39 - HA    THR   39   2.36 +/- 0.44  96.646% * 97.0314% (0.87  10.0 10.00   3.00  38.36) =  99.997%  kept
          QB    ALA   34 - HA    THR   39   5.20 +/- 0.35   1.345% *  0.0934% (0.84   1.0  1.00   0.02   4.65) =   0.001%
          HG3   LYS+  38 - HA    THR   39   6.02 +/- 0.74   0.929% *  0.1116% (1.00   1.0  1.00   0.02  22.82) =   0.001%
          HG3   LYS+  99 - HA    THR   39   6.60 +/- 1.59   0.550% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   7.57 +/- 1.42   0.283% *  0.0311% (0.28   1.0  1.00   0.02   0.21) =   0.000%
        T QG2   THR   39 - HA    ILE  103  10.98 +/- 0.73   0.020% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   8.89 +/- 0.93   0.061% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.70 +/- 0.61   0.134% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  15.64 +/- 1.76   0.003% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.58 +/- 1.34   0.009% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  19.58 +/- 0.60   0.000% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  22.52 +/- 1.05   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.16 +/- 2.06   0.005% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.27 +/- 1.33   0.009% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.38 +/- 1.10   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.95 +/- 1.79   0.002% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  20.00 +/- 1.51   0.000% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  16.88 +/- 1.19   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.46 +/- 0.95   0.001% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.80 +/- 1.55   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.03 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.4:
    * O T HA    THR   39 - HB    THR   39   2.92 +/- 0.19  99.974% * 98.7925% (1.00  10.0 10.00   3.00  38.36) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.89 +/- 1.17   0.017% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.66 +/- 0.79   0.005% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.28 +/- 3.05   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.73 +/- 1.55   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.48 +/- 1.42   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.20 +/- 1.36   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.78 +/- 1.07   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.47 +/- 1.58   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 37.6:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  94.580% * 53.3027% (0.87  10.0 10.00   3.00  38.36) =  97.758%  kept
        T QB    ALA   34 - HB    THR   39   4.21 +/- 0.71   2.542% * 45.4666% (0.84   1.0 10.00   1.77   4.65) =   2.241%  kept
          HG    LEU   71 - HB    THR   39   5.45 +/- 2.15   2.746% *  0.0171% (0.28   1.0  1.00   0.02   0.21) =   0.001%
        T HG3   LYS+  99 - HB    THR   39   8.87 +/- 1.48   0.030% *  0.2096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.33 +/- 0.84   0.090% *  0.0613% (1.00   1.0  1.00   0.02  22.82) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.23 +/- 1.32   0.012% *  0.0323% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  17.65 +/- 0.84   0.000% *  0.2991% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.09 +/- 1.23   0.000% *  0.5330% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  19.49 +/- 1.70   0.000% *  0.0593% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.75 +/- 1.29   0.000% *  0.0190% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T HA    THR   39 - QG2   THR   39   2.36 +/- 0.44  98.794% * 96.3159% (0.87  10.0 10.00   3.00  38.36) =  99.999%  kept
          HA    GLU-  79 - QG2   THR   23   6.34 +/- 0.73   0.506% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  10.98 +/- 0.73   0.021% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   91   7.90 +/- 1.84   0.383% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  11.45 +/- 0.79   0.015% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   9.07 +/- 1.55   0.129% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91  10.36 +/- 1.82   0.040% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.59 +/- 0.94   0.039% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  15.64 +/- 1.76   0.003% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.86 +/- 2.40   0.018% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.50 +/- 2.04   0.012% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  11.71 +/- 1.99   0.013% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  13.09 +/- 0.67   0.008% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.83 +/- 2.36   0.008% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  19.58 +/- 0.60   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.38 +/- 1.10   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  13.76 +/- 0.60   0.004% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  22.52 +/- 1.05   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  18.79 +/- 2.11   0.002% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.73 +/- 1.18   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.52 +/- 1.19   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  21.07 +/- 1.02   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.58 +/- 1.20   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.27 +/- 0.89   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.26 +/- 1.61   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  23.22 +/- 1.93   0.000% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  32.80 +/- 1.75   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  90.089% * 97.9974% (0.87  10.0 10.00   3.00  38.36) =  99.990%  kept
          HB3   SER   37 - QG2   THR   39   4.04 +/- 0.90   8.940% *  0.0946% (0.84   1.0  1.00   0.02   2.94) =   0.010%
          HA    ILE   89 - QB    ALA   91   4.97 +/- 0.56   0.829% *  0.0447% (0.40   1.0  1.00   0.02   7.76) =   0.000%
          QB    SER   13 - QG2   THR   39  10.35 +/- 2.04   0.021% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   8.95 +/- 2.16   0.060% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.87 +/- 1.23   0.029% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   9.66 +/- 0.82   0.014% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  17.65 +/- 0.84   0.000% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  15.06 +/- 1.95   0.003% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  12.39 +/- 2.03   0.004% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.38 +/- 0.53   0.007% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.70 +/- 1.43   0.002% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  16.36 +/- 2.27   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.09 +/- 1.23   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.32 +/- 0.75   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.37 +/- 0.81   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.96 +/- 1.33   0.000% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  20.83 +/- 1.62   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.63 +/- 2.03   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  22.60 +/- 1.15   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.92 +/- 0.90   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.98 +/- 1.63   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.04 +/- 0.68   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.91 +/- 1.45   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 103.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.55 +/- 0.22  97.256% * 97.9662% (1.00  10.0 10.00   5.19 103.90) =  99.999%  kept
          HB3   GLU-  14 - HA    GLU-  15   5.17 +/- 0.74   2.505% *  0.0386% (0.39   1.0  1.00   0.02   0.82) =   0.001%
        T HB2   LEU   40 - HA    ASN   35   9.87 +/- 0.57   0.032% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15   8.81 +/- 0.95   0.077% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  13.14 +/- 1.51   0.009% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.70 +/- 1.23   0.026% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.92 +/- 0.32   0.064% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.50 +/- 0.67   0.013% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.12 +/- 1.31   0.005% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.72 +/- 1.15   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  17.25 +/- 1.18   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.17 +/- 1.58   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.92 +/- 1.17   0.002% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.37 +/- 0.84   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  18.48 +/- 2.29   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  18.97 +/- 1.08   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  23.95 +/- 1.93   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.76 +/- 2.42   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.67 +/- 2.03   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  23.68 +/- 3.37   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.25 +/- 2.16   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.867, support = 5.4, residual support = 103.9:
    * O T HB3   LEU   40 - HA    LEU   40   2.82 +/- 0.32  57.832% * 70.6117% (1.00  10.0 10.00   5.43 103.90) =  78.760%  kept
      O T HG    LEU   40 - HA    LEU   40   3.08 +/- 0.50  41.553% * 26.5014% (0.38  10.0 10.00   5.28 103.90) =  21.239%  kept
          HG    LEU   67 - HA    GLU-  15   8.90 +/- 2.54   0.411% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.38 +/- 1.73   0.013% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.24 +/- 0.45   0.027% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.64 +/- 0.68   0.021% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  10.62 +/- 1.56   0.042% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  19.94 +/- 3.17   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.27 +/- 1.78   0.038% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  11.86 +/- 1.00   0.011% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  11.36 +/- 0.65   0.015% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  16.07 +/- 3.40   0.003% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  19.28 +/- 2.21   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.26 +/- 1.35   0.006% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.47 +/- 0.64   0.005% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.20 +/- 0.74   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  15.15 +/- 5.13   0.006% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.28 +/- 1.46   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  13.07 +/- 0.43   0.006% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.11 +/- 2.45   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  26.97 +/- 3.09   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  17.12 +/- 1.21   0.001% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  17.10 +/- 1.30   0.002% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.88 +/- 2.10   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  26.29 +/- 2.17   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.82 +/- 0.63   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.34 +/- 3.26   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.51 +/- 3.45   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  22.45 +/- 5.10   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  23.07 +/- 1.58   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 103.9:
    * O T HA    LEU   40 - HB2   LEU   40   2.55 +/- 0.22  84.045% * 98.0349% (1.00  10.0 10.00   5.19 103.90) =  99.995%  kept
          HA    LYS+  99 - HB2   LEU   40   4.00 +/- 1.28  15.061% *  0.0244% (0.25   1.0  1.00   0.02  12.23) =   0.004%
        T HA    ASN   35 - HB2   LEU   40   9.87 +/- 0.57   0.029% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  13.14 +/- 1.51   0.008% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   8.81 +/- 0.95   0.061% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.70 +/- 1.23   0.023% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   6.50 +/- 0.92   0.441% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  11.53 +/- 5.63   0.258% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  15.23 +/- 6.73   0.020% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.54 +/- 0.22   0.020% *  0.0368% (0.38   1.0  1.00   0.02   0.12) =   0.000%
          HA    GLN   17 - HB2   LEU   40  14.09 +/- 0.94   0.004% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.01 +/- 2.13   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.47 +/- 0.80   0.008% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  20.12 +/- 1.11   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  17.25 +/- 1.18   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.56 +/- 1.44   0.010% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  14.66 +/- 1.08   0.003% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.42 +/- 0.45   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  21.62 +/- 1.80   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.69 +/- 1.18   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.18 +/- 1.26   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  16.88 +/- 1.50   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.972, support = 4.22, residual support = 103.4:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  82.012% * 69.9238% (1.00  10.0 10.00   4.22 103.90) =  95.817%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.63 +/- 0.26   8.400% * 26.2432% (0.38  10.0  1.00   4.73 103.90) =   3.683%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.55 +/- 0.20   9.532% *  3.1374% (0.04  10.0  1.00   4.98  58.47) =   0.500%
        T HB3   LEU   40 - HB2   LEU   67   8.65 +/- 1.63   0.012% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.28 +/- 1.74   0.008% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.91 +/- 1.47   0.009% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  14.76 +/- 3.76   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.28 +/- 0.59   0.018% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  18.55 +/- 2.34   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.03 +/- 1.85   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  13.82 +/- 5.32   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.30 +/- 3.00   0.002% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.39 +/- 1.70   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.93 +/- 0.98   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  19.21 +/- 3.21   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.89 +/- 0.56   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.13 +/- 1.21   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  16.11 +/- 1.13   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.69 +/- 4.05   0.002% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.69 +/- 0.64   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 = 5.43, residual support = 103.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.82 +/- 0.32  77.862% * 97.9684% (1.00  10.0 10.00   5.43 103.90) =  99.993%  kept
          HA    LYS+  99 - HB3   LEU   40   4.46 +/- 1.75  19.287% *  0.0244% (0.25   1.0  1.00   0.02  12.23) =   0.006%
        T HA    GLU-  15 - HB3   LEU   40  12.38 +/- 1.73   0.027% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40  10.24 +/- 0.45   0.045% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.89 +/- 1.51   2.557% *  0.0047% (0.05   1.0  1.00   0.02   0.21) =   0.000%
          HA    LEU  123 - HB3   LEU   40  14.88 +/- 6.44   0.054% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.78 +/- 0.32   0.033% *  0.0368% (0.38   1.0  1.00   0.02   0.12) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.52 +/- 0.76   0.069% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.17 +/- 1.31   0.014% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  17.46 +/- 2.26   0.003% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.87 +/- 1.30   0.031% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  19.28 +/- 2.21   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  19.30 +/- 1.25   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.28 +/- 1.46   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.37 +/- 0.84   0.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.69 +/- 0.64   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.90 +/- 1.67   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  16.48 +/- 1.47   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  26.29 +/- 2.17   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.67 +/- 2.24   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.69 +/- 1.70   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.85 +/- 2.20   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 103.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.980% * 99.4293% (1.00  10.0 10.00   4.22 103.90) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.65 +/- 1.63   0.015% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.21 +/- 0.63   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.20 +/- 1.55   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.55 +/- 2.34   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.55 +/- 1.83   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.13 +/- 1.36   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.39 +/- 1.70   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  13.50 +/- 1.98   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.27 +/- 1.52   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.11 +/- 2.30   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.78 +/- 2.12   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.52 +/- 2.02   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.00 +/- 2.05   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 = 74.4:
    * O T HB    VAL   41 - HA    VAL   41   2.85 +/- 0.23  99.536% * 99.0830% (0.69  10.0 10.00   4.00  74.43) = 100.000%  kept
          QB    LYS+  33 - HA    VAL   41   8.06 +/- 0.70   0.249% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.92 +/- 1.18   0.070% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.39 +/- 1.24   0.045% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  11.99 +/- 1.34   0.024% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.83 +/- 0.85   0.023% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.22 +/- 1.02   0.019% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.55 +/- 0.78   0.026% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  18.50 +/- 4.38   0.004% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.92 +/- 1.37   0.002% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  23.79 +/- 1.34   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.79 +/- 1.77   0.001% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.35 +/- 0.71   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.47 +/- 1.38   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 74.4:
    * O T QG1   VAL   41 - HA    VAL   41   2.36 +/- 0.27  91.874% * 98.7361% (1.00  10.0 10.00   4.22  74.43) =  99.995%  kept
          QD2   LEU   73 - HA    VAL   41   4.34 +/- 0.98   5.999% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HA    VAL   41   4.90 +/- 0.34   1.240% *  0.0934% (0.95   1.0  1.00   0.02   1.60) =   0.001%
        T QG2   VAL   18 - HA    VAL   41   9.27 +/- 0.65   0.031% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.35 +/- 1.42   0.702% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   9.17 +/- 1.05   0.042% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   41   7.78 +/- 0.96   0.107% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.38 +/- 0.90   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  14.82 +/- 1.37   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 74.4:
    * O T QG2   VAL   41 - HA    VAL   41   2.66 +/- 0.32  96.589% * 99.7508% (1.00  10.0 10.00   3.96  74.43) =  99.997%  kept
          QD2   LEU   98 - HA    VAL   41   5.11 +/- 0.65   3.212% *  0.0944% (0.95   1.0  1.00   0.02  18.27) =   0.003%
          QD2   LEU   63 - HA    VAL   41   9.20 +/- 1.84   0.188% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  13.04 +/- 1.03   0.010% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 74.4:
    * O T HA    VAL   41 - HB    VAL   41   2.85 +/- 0.23  99.979% * 99.8595% (0.69  10.0 10.00   4.00  74.43) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  16.40 +/- 5.64   0.009% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.10 +/- 0.71   0.011% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 74.4:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.02  95.875% * 98.7361% (0.69  10.0 10.00   4.00  74.43) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.26 +/- 0.60   2.318% *  0.0934% (0.65   1.0  1.00   0.02   1.60) =   0.002%
          QD2   LEU   73 - HB    VAL   41   5.16 +/- 1.32   1.048% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   41   5.83 +/- 1.18   0.661% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.71 +/- 1.37   0.038% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  10.92 +/- 0.95   0.006% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   8.49 +/- 1.32   0.051% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.92 +/- 1.19   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.96 +/- 1.42   0.001% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.93, residual support = 74.1:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  91.365% * 94.9483% (0.69  10.0 10.00   3.95  74.43) =  99.515%  kept
          QD2   LEU   98 - HB    VAL   41   3.65 +/- 0.96   8.624% *  4.9043% (0.65   1.0  1.00   1.09  18.27) =   0.485%
          QD2   LEU   63 - HB    VAL   41  10.94 +/- 1.95   0.009% *  0.0576% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.53 +/- 1.28   0.003% *  0.0898% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 74.4:
    * O T HA    VAL   41 - QG2   VAL   41   2.66 +/- 0.32  99.938% * 99.8595% (1.00  10.0 10.00   3.96  74.43) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41   9.91 +/- 0.77   0.044% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  14.02 +/- 4.26   0.017% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.95, residual support = 74.4:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  99.591% * 99.0830% (0.69  10.0 10.00   3.95  74.43) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   7.19 +/- 1.74   0.134% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.22 +/- 0.60   0.207% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.99 +/- 1.42   0.023% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.03 +/- 1.28   0.018% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.27 +/- 1.07   0.017% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.08 +/- 0.87   0.003% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.47 +/- 1.09   0.003% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.12 +/- 3.16   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.42 +/- 0.74   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.57 +/- 1.16   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.61 +/- 1.28   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.60 +/- 1.30   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.21 +/- 1.55   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 3.93, residual support = 72.5:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.07  64.548% * 90.8810% (1.00  10.0 10.00   3.99  74.43) =  97.332%  kept
          QG1   VAL   43 - QG2   VAL   41   2.80 +/- 0.79  20.891% *  7.2791% (0.95   1.0  1.00   1.69   1.60) =   2.523%  kept
          QD2   LEU   73 - QG2   VAL   41   3.64 +/- 1.25  10.617% *  0.8033% (0.45   1.0  1.00   0.39   0.02) =   0.142%
          HG    LEU   31 - QG2   VAL   41   4.06 +/- 0.82   3.636% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   VAL   18 - QG2   VAL   41   8.51 +/- 0.88   0.014% *  0.6945% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   6.53 +/- 1.23   0.255% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.82 +/- 1.09   0.035% *  0.1799% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.75 +/- 0.77   0.003% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.85 +/- 1.29   0.001% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.14, residual support = 87.1:
    * O T HB    VAL   42 - HA    VAL   42   2.93 +/- 0.19  89.090% * 90.7839% (0.87  10.0 10.00   4.15  87.78) =  99.250%  kept
          QB    LEU   98 - HA    VAL   42   4.62 +/- 0.67   8.338% *  7.3029% (0.76   1.0  1.00   1.83   0.45) =   0.747%  kept
          HB3   LEU   73 - HA    VAL   42   6.65 +/- 1.30   1.982% *  0.0838% (0.80   1.0  1.00   0.02   1.12) =   0.002%
        T HB2   LYS+ 112 - HA    PHE   55   8.96 +/- 2.03   0.248% *  0.1692% (0.16   1.0 10.00   0.02   2.69) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   8.59 +/- 0.74   0.186% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  13.27 +/- 4.42   0.044% *  0.0469% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  10.79 +/- 0.56   0.040% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.14 +/- 2.38   0.003% *  0.7189% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.50 +/- 0.83   0.017% *  0.0966% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.37 +/- 0.92   0.018% *  0.0800% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.84 +/- 1.22   0.006% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  19.02 +/- 1.79   0.002% *  0.2137% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.19 +/- 1.20   0.008% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.80 +/- 1.32   0.002% *  0.1010% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.16 +/- 2.16   0.007% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.27 +/- 1.68   0.004% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.48 +/- 2.13   0.001% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.54 +/- 1.48   0.001% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.12 +/- 1.06   0.001% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.82 +/- 1.38   0.001% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.96 +/- 1.97   0.001% *  0.0076% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.44 +/- 2.19   0.000% *  0.0238% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.59 +/- 2.51   0.000% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.23 +/- 1.83   0.000% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 87.8:
    * O T QG1   VAL   42 - HA    VAL   42   2.48 +/- 0.16  99.321% * 98.1799% (0.97  10.0 10.00   4.00  87.78) = 100.000%  kept
        T QB    ALA   64 - HA    VAL   42   7.93 +/- 0.85   0.120% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.59 +/- 0.80   0.035% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.51 +/- 2.68   0.508% *  0.0164% (0.16   1.0  1.00   0.02   2.69) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.79 +/- 0.48   0.002% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  14.36 +/- 1.54   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.10 +/- 1.44   0.008% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.48 +/- 2.92   0.001% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.8:
    * O T QG2   VAL   42 - HA    VAL   42   2.35 +/- 0.37  99.862% * 99.6660% (0.80  10.0 10.00   4.00  87.78) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.66 +/- 0.60   0.135% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  16.16 +/- 1.26   0.002% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.12 +/- 1.50   0.002% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.15, residual support = 87.8:
    * O T HA    VAL   42 - HB    VAL   42   2.93 +/- 0.19  99.216% * 97.9628% (0.87  10.0 10.00   4.15  87.78) =  99.999%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.96 +/- 2.03   0.268% *  0.3914% (0.35   1.0 10.00   0.02   2.69) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   7.89 +/- 1.05   0.370% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42   9.64 +/- 0.91   0.103% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.14 +/- 2.38   0.003% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  19.02 +/- 1.79   0.002% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.51 +/- 0.42   0.011% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.81 +/- 0.60   0.007% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  15.17 +/- 2.07   0.009% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  15.79 +/- 2.09   0.006% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  18.29 +/- 1.73   0.003% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.00 +/- 2.04   0.002% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.09 +/- 2.26   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.90 +/- 2.77   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 4.45, residual support = 104.2:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  79.257% * 65.1690% (0.84  10.0 10.00   4.15  87.78) =  88.556%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.71 +/- 0.23  20.389% * 32.7352% (0.42  10.0 10.00   6.74 231.52) =  11.444%  kept
          QB    ALA   64 - HB    VAL   42   5.77 +/- 0.94   0.345% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.54 +/- 2.39   0.003% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.96 +/- 2.14   0.003% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.03 +/- 0.46   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  17.92 +/- 3.23   0.001% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.55 +/- 1.86   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.04, residual support = 87.8:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  99.972% * 99.1635% (0.69  10.0 10.00   4.04  87.78) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.55 +/- 0.67   0.026% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.17 +/- 2.14   0.002% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.91 +/- 1.87   0.000% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.15, residual support = 87.8:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.02  95.853% * 96.3200% (0.84  10.0 10.00   4.15  87.78) =  99.996%  kept
          HB3   LEU   73 - QG1   VAL   42   5.97 +/- 1.22   3.715% *  0.0889% (0.77   1.0  1.00   0.02   1.12) =   0.004%
          QB    LEU   98 - QG1   VAL   42   5.95 +/- 0.56   0.241% *  0.0849% (0.74   1.0  1.00   0.02   0.45) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   7.44 +/- 0.84   0.073% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.54 +/- 2.39   0.004% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.96 +/- 2.14   0.004% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  10.09 +/- 3.27   0.037% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.19 +/- 0.77   0.034% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42  10.31 +/- 1.21   0.009% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.03 +/- 0.46   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.58 +/- 0.84   0.007% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.04 +/- 0.80   0.003% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.69 +/- 1.46   0.010% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.28 +/- 0.87   0.003% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.55 +/- 0.83   0.001% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.27 +/- 1.00   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.69 +/- 1.14   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.77 +/- 0.65   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.27 +/- 1.16   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  16.76 +/- 1.79   0.001% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.66 +/- 2.01   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.25 +/- 0.96   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.65 +/- 1.33   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.79 +/- 1.36   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 87.8:
    * O T QG2   VAL   42 - QG1   VAL   42   2.03 +/- 0.06  99.877% * 98.9960% (0.77  10.0 10.00   4.00  87.78) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.64 +/- 0.43   0.090% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.66 +/- 1.26   0.032% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  13.06 +/- 0.63   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.8:
    * O T HA    VAL   42 - QG2   VAL   42   2.35 +/- 0.37  99.886% * 99.2010% (0.80  10.0 10.00   4.00  87.78) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.04 +/- 0.68   0.082% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  16.16 +/- 1.26   0.002% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.99 +/- 0.73   0.015% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.35 +/- 0.50   0.007% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  12.96 +/- 1.48   0.006% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  15.69 +/- 1.23   0.002% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.04, residual support = 87.8:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  98.723% * 98.4381% (0.69  10.0 10.00   4.04  87.78) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.14 +/- 0.68   0.658% *  0.0867% (0.61   1.0  1.00   0.02   0.45) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   6.89 +/- 1.38   0.438% *  0.0909% (0.64   1.0  1.00   0.02   1.12) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.82 +/- 3.89   0.085% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.74 +/- 0.92   0.060% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.17 +/- 2.14   0.002% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.79 +/- 0.91   0.013% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.76 +/- 1.09   0.007% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.15 +/- 0.85   0.005% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.07 +/- 1.11   0.006% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.00 +/- 0.95   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.77 +/- 1.14   0.002% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 87.8:
    * O T QG1   VAL   42 - QG2   VAL   42   2.03 +/- 0.06  99.498% * 98.8869% (0.77  10.0 10.00   4.00  87.78) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.51 +/- 0.92   0.499% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  13.06 +/- 0.63   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.63 +/- 2.59   0.002% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 59.3:
    * O T HB    VAL   43 - HA    VAL   43   2.98 +/- 0.08  99.954% * 99.7401% (0.97  10.0 10.00   3.30  59.35) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.25 +/- 0.63   0.022% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  12.74 +/- 0.74   0.018% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.25 +/- 0.64   0.006% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.893, support = 4.27, residual support = 58.8:
    * O T QG1   VAL   43 - HA    VAL   43   2.52 +/- 0.25  80.900% * 95.4174% (0.90  10.0 10.00   4.29  59.35) =  99.007%  kept
          QD2   LEU   73 - HA    VAL   43   4.30 +/- 1.17  18.426% *  4.1982% (0.53   1.0  1.00   1.50   9.17) =   0.992%  kept
          QG1   VAL   41 - HA    VAL   43   6.49 +/- 0.42   0.258% *  0.1055% (0.99   1.0  1.00   0.02   1.60) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.27 +/- 0.90   0.143% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.09 +/- 0.95   0.088% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.42 +/- 0.84   0.075% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.13 +/- 0.60   0.089% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.50 +/- 1.49   0.010% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.43 +/- 0.92   0.009% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 59.3:
    * O T QG2   VAL   43 - HA    VAL   43   2.31 +/- 0.22  99.387% * 98.9143% (0.69  10.0 10.00   3.00  59.35) =  99.995%  kept
        T QD2   LEU   31 - HA    VAL   43   6.06 +/- 0.94   0.510% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - HA    VAL   43   7.86 +/- 1.32   0.103% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 59.3:
    * O T HA    VAL   43 - HB    VAL   43   2.98 +/- 0.08  99.917% * 99.8083% (0.97  10.0 10.00   3.30  59.35) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  11.92 +/- 1.38   0.035% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  11.02 +/- 0.73   0.045% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.53 +/- 0.57   0.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.65, residual support = 59.3:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.142% * 97.7514% (0.87  10.0 10.00   3.65  59.35) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.18 +/- 0.51   0.073% *  1.0803% (0.96   1.0 10.00   0.02   1.60) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.21 +/- 1.25   0.669% *  0.0573% (0.51   1.0  1.00   0.02   9.17) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.53 +/- 0.86   0.015% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   7.70 +/- 1.14   0.062% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.44 +/- 0.85   0.009% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.28 +/- 0.83   0.017% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.20 +/- 0.74   0.010% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.06 +/- 1.47   0.004% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 59.3:
    * O T QG2   VAL   43 - HB    VAL   43   2.13 +/- 0.02  99.537% * 98.9143% (0.66  10.0 10.00   2.89  59.35) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   6.00 +/- 0.79   0.275% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   6.74 +/- 1.61   0.188% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.29, residual support = 59.3:
    * O T HA    VAL   43 - QG1   VAL   43   2.52 +/- 0.25  99.843% * 99.8083% (0.90  10.0 10.00   4.29  59.35) = 100.000%  kept
          HA    HIS   22 - QG1   VAL   43   9.90 +/- 1.51   0.038% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - QG1   VAL   43   8.03 +/- 0.72   0.112% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.71 +/- 0.52   0.007% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.65, residual support = 59.3:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  99.976% * 99.7401% (0.87  10.0 10.00   3.65  59.35) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   8.96 +/- 0.60   0.020% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  12.98 +/- 0.57   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  12.42 +/- 0.94   0.003% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.77, residual support = 59.3:
    * O T QG2   VAL   43 - QG1   VAL   43   2.06 +/- 0.04  93.439% * 98.9143% (0.62  10.0 10.00   3.77  59.35) =  99.929%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.66 +/- 0.81   6.238% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.071%
          QG2   VAL   83 - QG1   VAL   43   5.93 +/- 1.61   0.323% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 59.3:
    * O T HB    VAL   43 - QG2   VAL   43   2.13 +/- 0.02  99.699% * 99.3815% (0.66  10.0 10.00   2.89  59.35) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   6.00 +/- 0.79   0.276% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  11.08 +/- 0.61   0.005% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.17 +/- 0.69   0.005% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.42 +/- 1.26   0.009% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.42 +/- 0.83   0.003% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  13.70 +/- 0.91   0.002% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.52 +/- 0.91   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.538, support = 4.11, residual support = 87.3:
    * O T QG1   VAL   43 - QG2   VAL   43   2.06 +/- 0.04  43.126% * 80.9559% (0.62  10.0 10.00   3.77  59.35) =  83.797%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  37.868% * 17.7908% (0.14  10.0 10.00   5.89 232.59) =  16.170%  kept
        T QG1   VAL   43 - QD2   LEU   31   3.66 +/- 0.81   3.197% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.018%
          QD2   LEU   73 - QG2   VAL   43   4.61 +/- 1.37   8.596% *  0.0475% (0.36   1.0  1.00   0.02   9.17) =   0.010%
          QG1   VAL   41 - QD2   LEU   31   3.71 +/- 1.21   6.169% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   31 - QG2   VAL   43   5.93 +/- 0.73   0.101% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   4.68 +/- 1.45   0.734% *  0.0136% (0.10   1.0  1.00   0.02   3.26) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.17 +/- 0.48   0.065% *  0.0895% (0.68   1.0  1.00   0.02   1.60) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.86 +/- 0.66   0.039% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.46 +/- 0.84   0.025% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   7.73 +/- 0.65   0.021% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.93 +/- 0.95   0.041% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.37 +/- 1.33   0.004% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.87 +/- 0.90   0.004% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.10 +/- 0.81   0.004% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.78 +/- 0.59   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.06 +/- 1.19   0.005% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.50 +/- 1.37   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.98 +/- 0.12  99.537% * 97.1917% (1.00  10.0 10.00   2.68  37.79) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.15 +/- 0.83   0.314% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.04 +/- 0.89   0.007% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  10.90 +/- 0.79   0.046% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  11.10 +/- 2.10   0.066% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  17.75 +/- 1.02   0.003% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  12.08 +/- 0.75   0.024% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.85 +/- 1.44   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.51 +/- 0.61   0.004% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.50 +/- 0.19  99.267% * 98.4998% (1.00  10.0 10.00   4.00  37.79) =  99.999%  kept
          HB3   PRO   93 - HA    ASP-  44   7.64 +/- 1.08   0.507% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44   9.20 +/- 0.89   0.048% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   9.11 +/- 1.30   0.071% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.99 +/- 1.35   0.038% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.05 +/- 0.99   0.017% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44   9.77 +/- 1.12   0.038% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  14.52 +/- 2.42   0.006% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.14 +/- 0.75   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.35 +/- 2.12   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.00 +/- 0.66   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.73 +/- 2.00   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.27 +/- 0.58   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.98 +/- 0.12  99.472% * 98.1053% (1.00  10.0 10.00   2.68  37.79) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.48 +/- 1.66   0.453% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.57 +/- 0.57   0.031% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.62 +/- 0.96   0.013% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.38 +/- 1.12   0.003% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  15.46 +/- 1.29   0.007% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.75 +/- 0.59   0.007% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.61 +/- 1.48   0.006% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  26.71 +/- 1.49   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.33 +/- 0.75   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.16 +/- 0.69   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.58 +/- 1.41   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.958% * 99.2040% (1.00  10.0 10.00   2.62  37.79) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   8.15 +/- 1.20   0.016% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   8.38 +/- 1.17   0.018% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.30 +/- 0.84   0.003% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.62 +/- 1.06   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.62 +/- 1.22   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.14 +/- 2.44   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.63 +/- 0.71   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.24 +/- 1.11   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.11 +/- 2.19   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.84 +/- 0.81   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.30 +/- 2.35   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.47 +/- 0.78   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.50 +/- 0.19  99.634% * 99.3093% (1.00  10.0 10.00   4.00  37.79) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.89 +/- 1.81   0.327% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.34 +/- 0.80   0.016% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  15.09 +/- 1.49   0.007% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.56 +/- 1.19   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  15.21 +/- 1.05   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.85 +/- 1.57   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  15.97 +/- 0.98   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  17.17 +/- 0.63   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.66 +/- 1.16   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.89 +/- 1.49   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  27.98 +/- 1.53   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.965% * 99.4398% (1.00  10.0 10.00   2.62  37.79) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.35 +/- 1.01   0.027% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.49 +/- 1.92   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  11.92 +/- 1.40   0.002% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.43 +/- 0.95   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  11.81 +/- 1.10   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  16.85 +/- 1.22   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.23 +/- 0.87   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.08 +/- 1.55   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HB2   PHE   45 - HA    PHE   45   3.00 +/- 0.19  99.722% * 99.8680% (1.00  10.0 10.00   3.31  80.46) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   8.45 +/- 1.02   0.265% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.25 +/- 2.18   0.013% *  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 = 80.5:
    * O T HB3   PHE   45 - HA    PHE   45   2.60 +/- 0.20  99.950% * 99.6736% (1.00  10.0 10.00   4.00  80.46) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.57 +/- 0.53   0.024% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  11.76 +/- 0.64   0.017% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  14.67 +/- 1.92   0.004% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.85 +/- 0.88   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.27 +/- 0.88   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.75 +/- 1.14   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HA    PHE   45 - HB2   PHE   45   3.00 +/- 0.19  99.989% * 99.9145% (1.00  10.0 10.00   3.31  80.46) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  14.15 +/- 0.28   0.010% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.54 +/- 1.89   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.991% * 99.6736% (1.00  10.0 10.00   3.31  80.46) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   9.08 +/- 0.88   0.006% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.31 +/- 0.55   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  13.82 +/- 1.89   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.81 +/- 1.20   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.77 +/- 0.72   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.06 +/- 1.17   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.5:
    * O T HA    PHE   45 - HB3   PHE   45   2.60 +/- 0.20  99.995% * 99.9145% (1.00  10.0 10.00   4.00  80.46) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.45 +/- 0.41   0.004% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.48 +/- 1.95   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.996% * 99.8680% (1.00  10.0 10.00   3.31  80.46) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.39 +/- 1.12   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  14.20 +/- 2.14   0.001% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.56 +/- 0.14  99.991% * 98.0423% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.58 +/- 1.61   0.007% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.68 +/- 1.19   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  21.03 +/- 6.50   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.23 +/- 1.66   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.70 +/- 1.63   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.32 +/- 4.19   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.84 +/- 2.38   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.58 +/- 1.76   0.000% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HA    THR   46   3.06 +/- 0.27  98.873% * 97.3989% (1.00  10.0 10.00   3.00  34.51) =  99.999%  kept
          QG1   VAL   41 - HA    SER   37   7.64 +/- 0.37   0.437% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46   9.07 +/- 1.08   0.232% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   9.48 +/- 1.22   0.199% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.40 +/- 0.26   0.071% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  11.30 +/- 1.33   0.055% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.02 +/- 0.67   0.018% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  13.76 +/- 0.77   0.014% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.03 +/- 0.53   0.019% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.59 +/- 1.22   0.016% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.51 +/- 1.05   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  20.23 +/- 1.23   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  13.86 +/- 1.58   0.019% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.01 +/- 0.46   0.008% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.39 +/- 0.89   0.005% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.11 +/- 0.54   0.018% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.88 +/- 0.84   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.32 +/- 1.26   0.004% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.02 +/- 0.86   0.004% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.35 +/- 2.06   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  20.54 +/- 2.11   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.56 +/- 0.14  99.967% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.32 +/- 1.28   0.019% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  13.82 +/- 1.61   0.006% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.15 +/- 0.80   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.68 +/- 1.19   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.23 +/- 1.66   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  17.84 +/- 1.42   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.37 +/- 0.91   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.17 +/- 0.01  99.881% * 99.5878% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.59 +/- 1.34   0.103% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.18 +/- 0.73   0.010% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  12.34 +/- 1.13   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.36 +/- 0.96   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.17 +/- 0.95   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.51 +/- 1.25   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   3.06 +/- 0.27  99.806% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46  10.26 +/- 1.64   0.099% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  11.90 +/- 1.36   0.042% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.51 +/- 0.96   0.038% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  20.23 +/- 1.23   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.51 +/- 1.05   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.02 +/- 1.12   0.009% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.59 +/- 0.89   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  99.997% * 99.8459% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.33 +/- 1.71   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.47 +/- 2.04   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 11.0:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.995% * 99.0048% (0.95  10.0 10.00   2.00  10.97) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.96 +/- 0.39   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.46 +/- 3.20   0.001% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  13.97 +/- 1.18   0.002% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.934, support = 2.02, residual support = 10.9:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  72.002% * 93.2532% (0.95  10.0 10.00   2.00  10.97) =  97.726%  kept
          HA    CYS   50 - QB    ALA   47   2.81 +/- 0.86  27.403% *  5.7002% (0.42   1.0  1.00   2.73   7.07) =   2.274%  kept
          HA    TRP   49 - QB    ALA   47   4.83 +/- 0.09   0.543% *  0.0259% (0.26   1.0  1.00   0.02  15.93) =   0.000%
          HA    VAL  108 - QB    ALA   47  10.05 +/- 1.69   0.013% *  0.0914% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.96 +/- 0.39   0.002% *  0.7143% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42   9.38 +/- 0.99   0.013% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.64 +/- 2.13   0.014% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  12.41 +/- 1.61   0.004% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.30 +/- 0.67   0.004% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.09 +/- 1.20   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  13.61 +/- 1.07   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.39 +/- 0.61   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.78, residual support = 9.49:
    * O T QB    SER   48 - HA    SER   48   2.28 +/- 0.09  99.281% * 96.0221% (1.00  10.0 10.00   1.78   9.49) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.55 +/- 0.36   0.517% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.001%
          HA2   GLY   51 - HA    SER   48   8.76 +/- 1.39   0.109% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.21 +/- 1.80   0.005% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.52 +/- 2.17   0.003% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   8.82 +/- 1.34   0.053% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.02 +/- 1.02   0.006% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.36 +/- 1.06   0.015% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.20 +/- 1.69   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.81 +/- 2.10   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.72 +/- 0.89   0.001% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.70 +/- 1.94   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  16.56 +/- 4.85   0.002% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  16.44 +/- 4.99   0.002% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.49 +/- 1.06   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.88 +/- 1.51   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.02 +/- 0.84   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  13.12 +/- 1.41   0.004% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.16 +/- 1.55   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  25.47 +/- 2.96   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  21.55 +/- 2.02   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.41 +/- 0.59   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.61 +/- 1.72   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.17 +/- 2.49   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  27.16 +/- 1.50   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.76 +/- 0.89   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.60 +/- 2.28   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.45 +/- 1.10   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.88 +/- 2.23   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  23.46 +/- 0.80   0.000% *  0.0065% (0.07   1.0  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 = 0.999, support = 3.79, residual support = 73.7:
    * O T HB2   TRP   49 - HA    TRP   49   2.47 +/- 0.17  98.605% * 50.9151% (1.00  10.0 10.00   3.79  74.65) =  98.708%  kept
        T HB2   TRP   49 - HA    CYS   50   5.29 +/- 0.36   1.369% * 47.9899% (0.94   1.0 10.00   3.46   2.72) =   1.292%  kept
        T HA2   GLY  109 - HA    CYS   50  13.14 +/- 3.08   0.010% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  17.10 +/- 2.85   0.002% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  14.41 +/- 1.28   0.003% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.03 +/- 1.20   0.002% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  18.68 +/- 2.56   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.22 +/- 1.40   0.005% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  19.62 +/- 2.85   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.98 +/- 1.03   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.29 +/- 2.09   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.27 +/- 2.33   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.79, residual support = 74.6:
    * O T HB3   TRP   49 - HA    TRP   49   2.40 +/- 0.13  99.524% * 98.8838% (0.84  10.0 10.00   3.79  74.65) =  99.996%  kept
        T HB3   TRP   49 - HA    CYS   50   5.98 +/- 0.20   0.470% *  0.9320% (0.79   1.0 10.00   0.02   2.72) =   0.004%
          HB3   PHE   59 - HA    CYS   50  12.92 +/- 1.52   0.005% *  0.0893% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.46 +/- 0.96   0.001% *  0.0948% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.79, residual support = 74.6:
    * O T HA    TRP   49 - HB2   TRP   49   2.47 +/- 0.17  98.437% * 97.9260% (1.00  10.0 10.00   3.79  74.65) =  99.987%  kept
        T HA    CYS   50 - HB2   TRP   49   5.29 +/- 0.36   1.366% *  0.9263% (0.95   1.0 10.00   0.02   2.72) =   0.013%
          HA    ALA   47 - HB2   TRP   49   7.27 +/- 0.42   0.193% *  0.0272% (0.28   1.0  1.00   0.02  15.93) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  16.66 +/- 3.02   0.003% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  20.09 +/- 1.65   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.03 +/- 2.16   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.77 +/- 1.49   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.7:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  74.65) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.35 +/- 1.39   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.79, residual support = 74.6:
    * O T HA    TRP   49 - HB3   TRP   49   2.40 +/- 0.13  99.238% * 98.7661% (0.84  10.0 10.00   3.79  74.65) =  99.995%  kept
        T HA    CYS   50 - HB3   TRP   49   5.98 +/- 0.20   0.468% *  0.9343% (0.79   1.0 10.00   0.02   2.72) =   0.004%
          HA    ALA   47 - HB3   TRP   49   6.65 +/- 0.53   0.290% *  0.0275% (0.23   1.0  1.00   0.02  15.93) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  17.11 +/- 2.97   0.002% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  19.46 +/- 1.95   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.27 +/- 2.18   0.001% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.45 +/- 1.71   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.7:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  74.65) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  16.53 +/- 2.99   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  15.72 +/- 1.01   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.61 +/- 1.41   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  23.80 +/- 1.96   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.44 +/- 2.23   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.67, residual support = 7.12:
    * O T QB    CYS   50 - HA    CYS   50   2.34 +/- 0.13  97.442% * 51.3514% (1.00  10.0 10.00   1.64   7.22) =  97.713%  kept
        T QB    CYS   50 - HA    TRP   49   4.45 +/- 0.41   2.419% * 48.4012% (0.94   1.0 10.00   3.14   2.72) =   2.287%  kept
          QE    LYS+  74 - HA    CYS   50   9.54 +/- 1.40   0.028% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.27 +/- 2.14   0.082% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.45 +/- 1.75   0.022% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.45 +/- 1.07   0.005% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.06 +/- 2.01   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.48 +/- 1.20   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  28.05 +/- 2.03   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.77 +/- 1.13   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.64, residual support = 7.22:
    * O T HA    CYS   50 - QB    CYS   50   2.34 +/- 0.13  96.429% * 98.7658% (1.00  10.0 10.00   1.64   7.22) =  99.976%  kept
        T HA    TRP   49 - QB    CYS   50   4.45 +/- 0.41   2.400% *  0.9343% (0.95   1.0 10.00   0.02   2.72) =   0.024%
          HA    ALA   47 - QB    CYS   50   5.32 +/- 0.60   1.159% *  0.0443% (0.45   1.0  1.00   0.02   7.07) =   0.001%
          HA1   GLY  109 - QB    CYS   50  13.43 +/- 2.24   0.005% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  13.06 +/- 1.80   0.004% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  14.73 +/- 1.45   0.002% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.54 +/- 1.43   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 223.9:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  97.453% * 99.8323% (1.00  10.0 10.00   7.06 223.95) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   9.05 +/- 2.20   2.345% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  12.86 +/- 3.05   0.166% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.79 +/- 1.63   0.030% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  20.96 +/- 1.85   0.005% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.16 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 224.0:
    * O T HB2   PRO   52 - HD2   PRO   52   3.92 +/- 0.09  99.979% * 99.5699% (1.00  10.0 10.00   6.56 223.95) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  19.40 +/- 1.78   0.008% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.43 +/- 0.96   0.014% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.9:
    * O T HB3   PRO   52 - HD2   PRO   52   3.97 +/- 0.09  91.486% * 98.1836% (1.00  10.0 10.00   6.61 223.95) =  99.995%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.51 +/- 0.56   5.830% *  0.0368% (0.38   1.0  1.00   0.02   1.75) =   0.002%
        T HG    LEU  123 - HD2   PRO   52  22.11 +/- 3.65   0.115% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD2   PRO   52   8.48 +/- 2.17   2.381% *  0.0303% (0.31   1.0  1.00   0.02   0.42) =   0.001%
        T QB    LYS+  81 - HD2   PRO   52  14.85 +/- 2.09   0.044% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  12.94 +/- 1.96   0.124% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.76 +/- 1.00   0.006% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  25.55 +/- 1.52   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.52 +/- 2.21   0.003% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.77 +/- 1.54   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  21.62 +/- 1.49   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.48 +/- 1.89   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.40 +/- 1.50   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.53 +/- 1.41   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.9:
    * O T HG2   PRO   52 - HD2   PRO   52   2.38 +/- 0.20  99.033% * 99.6094% (1.00  10.0 10.00   6.45 223.95) =  99.999%  kept
          HG2   MET   92 - HD2   PRO   52   6.01 +/- 1.15   0.952% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.29 +/- 2.21   0.010% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.94 +/- 2.15   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.30 +/- 1.07   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.17 +/- 2.00   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.33 +/- 1.60   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 224.0:
    * O T HG3   PRO   52 - HD2   PRO   52   2.78 +/- 0.20  99.818% * 98.5427% (1.00  10.0 10.00   6.45 223.95) = 100.000%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.84 +/- 0.98   0.012% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   52   8.90 +/- 2.08   0.168% *  0.0304% (0.31   1.0  1.00   0.02   0.42) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.48 +/- 1.52   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.10 +/- 1.99   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.29 +/- 2.04   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  28.27 +/- 1.29   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.73 +/- 2.39   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 224.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.58 +/- 0.21  99.997% * 99.5699% (1.00  10.0 10.00   5.19 223.95) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  20.26 +/- 2.05   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  16.04 +/- 1.07   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.9:
    * O T HB3   PRO   52 - HA    PRO   52   2.45 +/- 0.21  97.647% * 99.2796% (1.00  10.0 10.00   6.12 223.95) =  99.999%  kept
          HG2   ARG+  54 - HA    PRO   52   6.13 +/- 1.11   2.141% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.001%
          HG2   PRO   93 - HA    PRO   52   7.91 +/- 2.56   0.204% *  0.0306% (0.31   1.0  1.00   0.02   0.42) =   0.000%
          HG    LEU  123 - HA    PRO   52  20.32 +/- 3.13   0.002% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  17.79 +/- 2.19   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.59 +/- 2.36   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.83 +/- 0.89   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  24.22 +/- 2.42   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.16 +/- 1.69   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.86 +/- 1.81   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.97 +/- 2.09   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.81 +/- 1.47   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.99 +/- 1.80   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.93 +/- 1.58   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.9:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  95.616% * 99.6094% (1.00  10.0 10.00   5.98 223.95) =  99.997%  kept
          HG2   MET   92 - HA    PRO   52   7.69 +/- 1.45   3.951% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HA    PRO   52  11.87 +/- 2.32   0.313% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.65 +/- 1.20   0.111% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  19.26 +/- 2.25   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  30.11 +/- 2.24   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.83 +/- 1.91   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.38 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.9:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  97.753% * 98.7160% (1.00  10.0 10.00   5.97 223.95) =  99.997%  kept
        T HG2   PRO   58 - HA    PRO   52  10.75 +/- 1.21   0.281% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   8.80 +/- 2.38   1.961% *  0.0305% (0.31   1.0  1.00   0.02   0.42) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  29.10 +/- 2.31   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  24.27 +/- 2.13   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  27.77 +/- 1.36   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.26 +/- 1.78   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  38.45 +/- 2.54   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.78 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 223.9:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.604% * 99.4673% (1.00  10.0 10.00   7.06 223.95) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.24 +/- 1.38   0.337% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  19.05 +/- 1.87   0.010% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.05 +/- 1.39   0.009% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  19.99 +/- 2.75   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.19 +/- 1.12   0.005% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  19.60 +/- 1.60   0.009% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.19 +/- 1.70   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.06 +/- 1.66   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.65 +/- 1.78   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.93 +/- 2.10   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.17 +/- 1.94   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.77 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 223.9:
    * O T HA    PRO   52 - HB2   PRO   52   2.58 +/- 0.21  99.278% * 99.4915% (1.00  10.0 10.00   5.19 223.95) = 100.000%  kept
          HA    ALA   91 - HB2   PRO   52   9.13 +/- 3.13   0.455% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB2   PRO   52  10.24 +/- 3.82   0.179% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.37 +/- 0.98   0.062% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  20.26 +/- 2.05   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  13.98 +/- 2.75   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.56 +/- 1.28   0.010% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.98 +/- 1.14   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.76 +/- 1.58   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.51 +/- 2.86   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 223.9:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  96.927% * 98.7825% (1.00  10.0 10.00   6.22 223.95) =  99.999%  kept
          HG12  ILE  103 - HG2   MET   96   4.64 +/- 2.79   2.263% *  0.0260% (0.26   1.0  1.00   0.02   9.31) =   0.001%
          HG2   PRO   93 - HB2   PRO   52   6.86 +/- 3.51   0.538% *  0.0305% (0.31   1.0  1.00   0.02   0.42) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.94 +/- 2.22   0.180% *  0.0119% (0.12   1.0  1.00   0.02   9.31) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.95 +/- 0.91   0.018% *  0.0371% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.05 +/- 1.39   0.052% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.65 +/- 1.19   0.010% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  20.28 +/- 3.51   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.76 +/- 0.97   0.008% *  0.0045% (0.05   1.0  1.00   0.02   0.30) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  16.75 +/- 2.81   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.20 +/- 3.15   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.31 +/- 2.21   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.62 +/- 1.31   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.91 +/- 0.86   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  19.14 +/- 1.37   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.79 +/- 1.45   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.99 +/- 3.27   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.76 +/- 1.09   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.46 +/- 3.20   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.63 +/- 1.36   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.27 +/- 2.71   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  24.08 +/- 2.82   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.39 +/- 2.28   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.67 +/- 3.04   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  26.89 +/- 2.24   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.24 +/- 1.59   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.52 +/- 2.39   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.89 +/- 2.50   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 223.9:
    * O T HG2   PRO   52 - HB2   PRO   52   2.61 +/- 0.31  98.720% * 99.2053% (1.00  10.0 10.00   6.13 223.95) =  99.999%  kept
          HG2   MET   92 - HB2   PRO   52   6.51 +/- 1.92   1.141% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HB2   PRO   52  11.12 +/- 2.85   0.105% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.86 +/- 1.50   0.021% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  18.51 +/- 2.29   0.001% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.59 +/- 2.78   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.87 +/- 1.05   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.99 +/- 1.19   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  17.30 +/- 1.48   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.34 +/- 1.18   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.40 +/- 1.29   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.31 +/- 2.74   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  20.70 +/- 1.54   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.22 +/- 2.66   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.9:
    * O T HG3   PRO   52 - HB2   PRO   52   2.55 +/- 0.25  99.112% * 98.0617% (1.00  10.0 10.00   6.12 223.95) = 100.000%  kept
          HB2   PRO   93 - HB2   PRO   52   7.97 +/- 3.25   0.856% *  0.0303% (0.31   1.0  1.00   0.02   0.42) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.94 +/- 1.09   0.015% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  19.53 +/- 2.68   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  20.12 +/- 1.54   0.000% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.54 +/- 0.88   0.009% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.80 +/- 1.16   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.59 +/- 1.43   0.003% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.83 +/- 1.43   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.37 +/- 2.52   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.67 +/- 1.58   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.30 +/- 2.87   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.93 +/- 1.98   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.54 +/- 2.50   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.90 +/- 2.44   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.99 +/- 1.85   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 223.9:
    * O T HD2   PRO   52 - HB2   PRO   52   3.92 +/- 0.09  99.119% * 99.0230% (1.00  10.0 10.00   6.56 223.95) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.20 +/- 1.51   0.371% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  12.17 +/- 1.80   0.154% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  19.40 +/- 1.78   0.008% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  17.52 +/- 2.78   0.018% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  13.22 +/- 2.26   0.098% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.22 +/- 1.30   0.034% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  17.77 +/- 2.22   0.014% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  19.81 +/- 3.08   0.029% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.35 +/- 0.56   0.043% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  16.93 +/- 2.20   0.021% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.73 +/- 1.52   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  19.67 +/- 2.06   0.007% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.23 +/- 1.06   0.008% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.38 +/- 1.27   0.021% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.93 +/- 1.17   0.009% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  21.95 +/- 2.40   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.14 +/- 1.26   0.006% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.23 +/- 3.13   0.014% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.48 +/- 1.99   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.29 +/- 1.19   0.015% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.77 +/- 2.73   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.15 +/- 2.84   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.55 +/- 2.68   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 224.0:
    * O T HA    PRO   52 - HB3   PRO   52   2.45 +/- 0.21  99.731% * 99.6990% (1.00  10.0 10.00   6.12 223.95) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52  10.13 +/- 3.96   0.106% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   8.94 +/- 2.99   0.132% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  17.79 +/- 2.19   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  14.23 +/- 2.23   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.43 +/- 1.86   0.018% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  12.56 +/- 0.85   0.007% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.84 +/- 1.96   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  21.29 +/- 2.25   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  19.12 +/- 1.24   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 224.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.22 223.95) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  19.31 +/- 2.21   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  16.75 +/- 2.81   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.62 +/- 1.31   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  17.08 +/- 0.98   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.28 +/- 0.93   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.9:
    * O T HG2   PRO   52 - HB3   PRO   52   2.63 +/- 0.33  94.185% * 99.4355% (1.00  10.0 10.00   6.15 223.95) =  99.996%  kept
          HG2   MET   92 - HB3   PRO   52   6.29 +/- 2.08   4.925% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - QB    LYS+  81   6.60 +/- 0.95   0.794% *  0.0091% (0.09   1.0  1.00   0.02   1.43) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  11.31 +/- 2.58   0.050% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  14.86 +/- 2.58   0.005% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  12.54 +/- 2.76   0.024% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  18.77 +/- 2.37   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.18 +/- 1.19   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  13.25 +/- 1.27   0.007% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  18.64 +/- 1.74   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.53 +/- 2.22   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.67 +/- 1.44   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  35.60 +/- 1.65   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  24.99 +/- 0.74   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.9:
    * O T HG3   PRO   52 - HB3   PRO   52   2.58 +/- 0.28  99.502% * 98.1909% (1.00  10.0 10.00   6.14 223.95) =  99.999%  kept
        T HB2   PRO   93 - HB3   PRO   52   8.33 +/- 2.39   0.247% *  0.3031% (0.31   1.0 10.00   0.02   0.42) =   0.001%
        T HG2   PRO   58 - HB3   PRO   52  12.21 +/- 1.28   0.013% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  15.35 +/- 2.84   0.004% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   7.91 +/- 1.04   0.229% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.08 +/- 1.30   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.27 +/- 0.88   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.82 +/- 2.09   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.46 +/- 2.33   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  16.87 +/- 0.85   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  28.37 +/- 1.14   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.09 +/- 1.61   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.83 +/- 1.67   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  39.38 +/- 2.41   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  33.84 +/- 2.07   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.65 +/- 0.89   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.994, support = 6.59, residual support = 222.7:
    * O T HD2   PRO   52 - HB3   PRO   52   3.97 +/- 0.09  50.939% * 97.2454% (1.00  10.0 10.00   6.61 223.95) =  99.412%  kept
          HB2   SER   82 - QB    LYS+  81   4.18 +/- 0.32  38.956% *  0.7496% (0.04   1.0  1.00   3.94  11.89) =   0.586%  kept
          QB    SER   85 - QB    LYS+  81   5.49 +/- 0.61   9.183% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB3   PRO   52  11.26 +/- 1.51   0.200% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.92 +/- 0.61   0.437% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  14.85 +/- 2.09   0.026% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  10.94 +/- 1.92   0.199% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  17.50 +/- 2.46   0.010% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  19.60 +/- 0.88   0.004% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  17.80 +/- 1.98   0.008% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  16.72 +/- 0.90   0.010% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  31.10 +/- 1.68   0.000% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.31 +/- 2.78   0.010% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  22.19 +/- 1.01   0.002% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.12 +/- 1.37   0.004% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.47 +/- 1.95   0.000% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.06 +/- 2.10   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  25.94 +/- 1.45   0.001% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  21.77 +/- 0.84   0.002% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.92 +/- 1.68   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.76 +/- 0.74   0.005% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  24.76 +/- 1.14   0.001% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.54 +/- 0.79   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.39 +/- 2.22   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.41 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.9:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  92.058% * 99.8323% (1.00  10.0 10.00   5.98 223.95) =  99.997%  kept
          HA    ALA   91 - HG2   PRO   52   7.92 +/- 2.84   7.473% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG2   PRO   52  11.61 +/- 3.56   0.412% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  14.53 +/- 2.16   0.052% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  21.21 +/- 2.28   0.005% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 224.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.61 +/- 0.31  99.998% * 99.5699% (1.00  10.0 10.00   6.13 223.95) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  18.51 +/- 2.29   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.63 +/- 1.01   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.9:
    * O T HB3   PRO   52 - HG2   PRO   52   2.63 +/- 0.33  98.046% * 99.2796% (1.00  10.0 10.00   6.15 223.95) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   7.30 +/- 2.72   1.711% *  0.0306% (0.31   1.0  1.00   0.02   0.42) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.13 +/- 0.65   0.169% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HG    LEU  123 - HG2   PRO   52  21.57 +/- 3.67   0.027% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  14.86 +/- 2.58   0.007% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  11.96 +/- 2.74   0.037% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.81 +/- 1.26   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.61 +/- 2.55   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  23.52 +/- 2.02   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.64 +/- 2.03   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.40 +/- 2.35   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  27.37 +/- 1.55   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  25.74 +/- 1.85   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.68 +/- 1.84   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 224.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.974% * 98.7160% (1.00  10.0 10.00   5.99 223.95) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   8.16 +/- 2.36   0.025% *  0.0305% (0.31   1.0  1.00   0.02   0.42) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.20 +/- 1.09   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.47 +/- 2.53   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.93 +/- 2.13   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  28.36 +/- 1.37   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.53 +/- 1.94   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  38.65 +/- 2.44   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 224.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.38 +/- 0.20  99.875% * 99.4673% (1.00  10.0 10.00   6.45 223.95) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.13 +/- 1.55   0.119% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  16.17 +/- 2.39   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.27 +/- 1.95   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.09 +/- 3.18   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  19.99 +/- 2.11   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.30 +/- 1.63   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.09 +/- 1.42   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  25.55 +/- 1.69   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.76 +/- 2.04   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  27.88 +/- 2.21   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.68 +/- 2.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.9:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  93.089% * 98.8988% (1.00  10.0 10.00   5.97 223.95) =  99.995%  kept
        T HA    PRO   52 - HG2   PRO   58  10.75 +/- 1.21   0.275% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HG3   PRO   52   8.48 +/- 3.20   5.960% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52  12.10 +/- 3.71   0.299% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  11.41 +/- 2.08   0.252% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.15 +/- 2.13   0.033% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  14.13 +/- 1.17   0.048% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  15.41 +/- 2.47   0.038% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  22.22 +/- 2.59   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  23.28 +/- 0.99   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.31 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.9:
    * O T HB2   PRO   52 - HG3   PRO   52   2.55 +/- 0.25  99.528% * 98.4337% (1.00  10.0 10.00   6.12 223.95) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.67 +/- 0.62   0.455% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.94 +/- 1.09   0.015% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  19.53 +/- 2.68   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  20.12 +/- 1.54   0.000% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  18.48 +/- 1.15   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.9:
    * O T HB3   PRO   52 - HG3   PRO   52   2.58 +/- 0.28  98.669% * 97.4419% (1.00  10.0 10.00   6.14 223.95) =  99.997%  kept
        T HG2   PRO   93 - HG3   PRO   52   8.16 +/- 3.03   0.996% *  0.3008% (0.31   1.0 10.00   0.02   0.42) =   0.003%
        T HB3   PRO   52 - HG2   PRO   58  12.21 +/- 1.28   0.012% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  11.40 +/- 1.76   0.027% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.53 +/- 0.67   0.106% *  0.0366% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.01 +/- 1.52   0.125% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  11.05 +/- 0.71   0.021% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.99 +/- 1.62   0.009% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.35 +/- 2.84   0.004% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  12.47 +/- 3.16   0.021% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.34 +/- 3.59   0.002% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.97 +/- 1.43   0.001% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  19.08 +/- 1.18   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.08 +/- 1.30   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  20.65 +/- 1.19   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.61 +/- 2.91   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.66 +/- 2.36   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  22.30 +/- 1.19   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  23.24 +/- 1.86   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.61 +/- 2.34   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  24.61 +/- 2.36   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.37 +/- 2.73   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  24.09 +/- 1.43   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  28.38 +/- 2.17   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.60 +/- 1.18   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.68 +/- 2.07   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  24.09 +/- 1.13   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.57 +/- 2.12   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.988, support = 5.96, residual support = 222.9:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  89.479% * 86.8129% (1.00  10.0 10.00   5.99 223.95) =  98.603%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.63 +/- 0.33  10.146% * 10.8440% (0.12  10.0 10.00   4.27 146.48) =   1.397%  kept
          HG2   MET   92 - HG3   PRO   52   5.80 +/- 2.00   0.370% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.20 +/- 1.09   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.72 +/- 2.72   0.002% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.13 +/- 1.29   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.63 +/- 2.21   0.001% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.56 +/- 1.02   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  17.35 +/- 2.71   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  23.11 +/- 1.56   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  32.77 +/- 1.54   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.46 +/- 2.26   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.40 +/- 2.66   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.88 +/- 1.22   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 = 6.45, residual support = 223.9:
    * O T HD2   PRO   52 - HG3   PRO   52   2.78 +/- 0.20  99.755% * 96.1754% (1.00  10.0 10.00   6.45 223.95) = 100.000%  kept
          HA    SER   48 - HG3   PRO   52   9.74 +/- 1.61   0.191% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   PRO   58  12.84 +/- 0.98   0.012% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.13 +/- 0.41   0.010% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  16.82 +/- 2.74   0.003% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.23 +/- 1.66   0.012% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.80 +/- 1.16   0.002% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.80 +/- 2.20   0.003% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  15.23 +/- 1.04   0.004% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.84 +/- 1.13   0.002% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.79 +/- 2.34   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  30.30 +/- 0.87   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.87 +/- 3.09   0.002% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.63 +/- 2.32   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.01 +/- 2.28   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.87 +/- 2.54   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.35 +/- 1.87   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  23.05 +/- 1.34   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.45 +/- 1.08   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.82 +/- 1.73   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.54 +/- 1.18   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.73 +/- 2.30   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  26.53 +/- 1.78   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  28.17 +/- 1.30   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HB2   CYS   53 - HA    CYS   53   2.90 +/- 0.18  98.154% * 99.5207% (1.00  10.0 10.00   2.96  44.11) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.27 +/- 0.06   1.030% *  0.0684% (0.69   1.0  1.00   0.02  53.91) =   0.001%
          HD2   PRO   58 - HA    CYS   53   7.01 +/- 1.02   0.814% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  21.01 +/- 1.54   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.95 +/- 1.69   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  23.48 +/- 1.62   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  27.01 +/- 1.48   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 44.1:
    * O T HB3   CYS   53 - HA    CYS   53   2.65 +/- 0.18  87.095% * 99.5685% (1.00  10.0 10.00   3.28  44.11) =  99.987%  kept
          QB    PHE   55 - HA    CYS   53   4.21 +/- 0.39   6.577% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HD3   PRO   93 - HA    CYS   53   5.35 +/- 1.87   5.914% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HA    CYS   53   7.63 +/- 0.65   0.199% *  0.0987% (0.99   1.0  1.00   0.02  31.87) =   0.000%
          HB2   PHE   59 - HA    CYS   53   8.30 +/- 1.30   0.215% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.86 +/- 1.53   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HA    CYS   53 - HB2   CYS   53   2.90 +/- 0.18  99.988% * 98.9901% (1.00  10.0 10.00   2.96  44.11) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  16.38 +/- 1.48   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  23.25 +/- 1.40   0.000% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  18.94 +/- 1.20   0.001% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  15.62 +/- 1.79   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.12 +/- 1.61   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.35, residual support = 44.1:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.809% * 99.5685% (1.00  10.0 10.00   3.35  44.11) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.36 +/- 1.70   0.104% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.14 +/- 0.22   0.055% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.08 +/- 0.65   0.027% *  0.0987% (0.99   1.0  1.00   0.02  31.87) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.89 +/- 1.19   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.36 +/- 1.51   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 44.1:
    * O T HA    CYS   53 - HB3   CYS   53   2.65 +/- 0.18  99.993% * 99.7562% (1.00  10.0 10.00   3.28  44.11) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  16.46 +/- 1.56   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.29 +/- 1.81   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.09 +/- 1.73   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.03 +/- 1.87   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.67 +/- 1.54   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.35, residual support = 44.1:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.888% * 99.6975% (1.00  10.0 10.00   3.35  44.11) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   6.07 +/- 0.65   0.072% *  0.0685% (0.69   1.0  1.00   0.02  53.91) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   7.97 +/- 1.66   0.039% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  17.73 +/- 2.10   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  22.35 +/- 1.87   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.54 +/- 1.82   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.93 +/- 1.78   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 161.9:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.77 +/- 0.08  96.864% * 98.6035% (1.00  10.0 10.00   4.78 161.90) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.47 +/- 0.66   2.145% *  0.0263% (0.27   1.0  1.00   0.02   9.73) =   0.001%
          HB2   PRO   93 - HA    LEU  115   8.21 +/- 1.82   0.523% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ARG+  54   9.02 +/- 1.60   0.146% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   9.29 +/- 1.60   0.277% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  14.39 +/- 2.18   0.030% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.05 +/- 1.38   0.007% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.01 +/- 1.67   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.34 +/- 1.73   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  24.52 +/- 1.74   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.73 +/- 2.30   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.24 +/- 1.58   0.001% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.60 +/- 1.51   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.39 +/- 1.30   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  23.43 +/- 2.65   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.64 +/- 1.98   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  23.23 +/- 1.74   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  33.55 +/- 2.28   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.63 +/- 1.80   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.02 +/- 1.46   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.14 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 161.9:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.57 +/- 0.53  97.023% * 96.1276% (1.00  10.0 10.00   4.74 161.90) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.90 +/- 0.43   0.239% *  0.3608% (0.38   1.0 10.00   0.02   1.75) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.69 +/- 0.53   0.857% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   6.88 +/- 1.47   1.420% *  0.0122% (0.13   1.0  1.00   0.02   0.21) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.81 +/- 1.83   0.189% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115  10.04 +/- 2.84   0.141% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.62 +/- 1.28   0.007% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  18.30 +/- 2.79   0.048% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.42 +/- 1.38   0.002% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  13.11 +/- 1.78   0.008% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  17.53 +/- 2.06   0.003% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.29 +/- 0.69   0.043% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  23.20 +/- 1.36   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.25 +/- 1.10   0.004% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.74 +/- 1.84   0.003% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  21.48 +/- 1.42   0.001% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  16.47 +/- 2.68   0.004% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.21 +/- 0.85   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.25 +/- 1.73   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.31 +/- 1.67   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.62 +/- 1.72   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  16.22 +/- 2.83   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.67 +/- 1.75   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.40 +/- 1.68   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.54 +/- 2.21   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.62 +/- 1.60   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.82 +/- 2.53   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  31.15 +/- 1.44   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.992, support = 4.5, residual support = 150.1:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.92 +/- 0.78  55.307% * 73.8662% (1.00 10.00   4.56 161.90) =  91.720%  kept
          HB3   CYS   53 - HA    ARG+  54   4.97 +/- 0.69  14.944% * 14.1009% (0.99  1.00   3.85  31.87) =   4.731%  kept
          QB    PHE   55 - HA    ARG+  54   5.07 +/- 0.08  13.671% * 11.5437% (0.80  1.00   3.90   3.25) =   3.543%  kept
          HB2   PHE   59 - HA    LEU  115   5.49 +/- 1.06  13.781% *  0.0120% (0.16  1.00   0.02  30.00) =   0.004%
          HB2   PHE   59 - HA    ARG+  54   8.89 +/- 1.19   0.911% *  0.0389% (0.53  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    ARG+  54   8.98 +/- 1.42   0.508% *  0.0662% (0.90  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.16 +/- 1.81   0.579% *  0.0182% (0.25  1.00   0.02   5.43) =   0.000%
          HD3   PRO   93 - HA    LEU  115  10.99 +/- 1.39   0.179% *  0.0204% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.60 +/- 1.55   0.014% *  0.2273% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.15 +/- 1.44   0.080% *  0.0225% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.59 +/- 1.70   0.022% *  0.0197% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.93 +/- 1.24   0.003% *  0.0641% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 161.9:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.77 +/- 0.08  99.971% * 98.5625% (1.00  10.0 10.00   4.78 161.90) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.05 +/- 1.38   0.007% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.70 +/- 2.14   0.010% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.94 +/- 2.44   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.06 +/- 1.53   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  24.52 +/- 1.74   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  26.11 +/- 3.00   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.13 +/- 2.69   0.003% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.39 +/- 1.30   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.50 +/- 1.94   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.64 +/- 2.06   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.13 +/- 5.03   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  21.84 +/- 3.75   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.01 +/- 2.02   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.82 +/- 2.68   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  33.55 +/- 2.28   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.34 +/- 2.71   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.02 +/- 1.46   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.54 +/- 2.43   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.31 +/- 1.84   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.28 +/- 2.02   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  30.50 +/- 5.72   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  27.38 +/- 2.23   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.56 +/- 3.16   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.15 +/- 1.60   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  36.25 +/- 2.31   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.51 +/- 1.56   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 4.93, residual support = 161.0:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.69 +/- 0.49  94.287% * 85.8180% (1.00  10.0 10.00   4.94 161.90) =  99.422%  kept
          QB    PHE   55 - HB2   ARG+  54   4.81 +/- 0.33   3.933% * 11.9110% (0.80   1.0  1.00   3.47   3.25) =   0.576%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.37 +/- 0.75   1.619% *  0.0851% (0.99   1.0  1.00   0.02  31.87) =   0.002%
        T HD3   PRO   93 - HB2   ARG+  54   9.63 +/- 1.65   0.112% *  0.7696% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.84 +/- 1.14   0.040% *  0.0452% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.91 +/- 1.42   0.007% *  0.1095% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.15 +/- 1.45   0.000% *  0.7444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  20.78 +/- 2.60   0.001% *  0.0720% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  26.75 +/- 2.74   0.000% *  0.1262% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.48 +/- 1.71   0.000% *  0.1132% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  24.91 +/- 2.30   0.000% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  24.42 +/- 1.81   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  35.50 +/- 2.96   0.000% *  0.0830% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  22.34 +/- 1.31   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  37.17 +/- 2.29   0.000% *  0.0744% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.04 +/- 2.35   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  30.96 +/- 1.54   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  34.13 +/- 2.07   0.000% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 161.9:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.92 +/- 0.78  99.926% * 99.0328% (1.00 10.00   4.56 161.90) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.60 +/- 1.55   0.038% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  20.57 +/- 2.26   0.014% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.67 +/- 1.57   0.014% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  27.28 +/- 2.75   0.002% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.30 +/- 2.64   0.003% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.68 +/- 2.85   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.61 +/- 3.24   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  35.91 +/- 2.89   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 161.9:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.69 +/- 0.49  99.961% * 97.9068% (1.00  10.0 10.00   4.94 161.90) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.96 +/- 1.97   0.029% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  25.29 +/- 3.53   0.001% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.35 +/- 2.15   0.005% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.89 +/- 2.06   0.002% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.06 +/- 2.99   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  26.75 +/- 2.74   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  35.50 +/- 2.96   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  26.02 +/- 2.86   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.85 +/- 2.88   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 161.9:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.77 +/- 0.17  99.744% * 97.2335% (1.00  10.0 10.00   4.78 161.90) =  99.999%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.75 +/- 1.40   0.178% *  0.3649% (0.38   1.0 10.00   0.02   1.75) =   0.001%
          HB    ILE   56 - HD2   ARG+  54   9.60 +/- 0.85   0.069% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  19.62 +/- 1.92   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  18.36 +/- 2.13   0.002% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  26.11 +/- 2.14   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.06 +/- 1.77   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.02 +/- 2.90   0.002% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.48 +/- 1.64   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.74 +/- 2.71   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  27.78 +/- 2.57   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.06 +/- 2.91   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.71 +/- 3.09   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.29 +/- 2.72   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 20.2:
    * O T QB    PHE   55 - HA    PHE   55   2.45 +/- 0.11  98.887% * 99.2105% (1.00  10.0 10.00   3.51  20.19) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.83 +/- 0.76   0.862% *  0.0794% (0.80   1.0  1.00   0.02   3.25) =   0.001%
          HB3   CYS   53 - HA    PHE   55   7.87 +/- 0.39   0.100% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    PHE   55   8.26 +/- 0.89   0.087% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   9.66 +/- 1.58   0.046% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  17.21 +/- 1.21   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  11.90 +/- 1.28   0.010% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.62 +/- 1.34   0.004% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.18 +/- 0.92   0.001% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.41 +/- 1.62   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.49 +/- 1.22   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.71 +/- 2.63   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 20.2:
    * O T HA    PHE   55 - QB    PHE   55   2.45 +/- 0.11  95.391% * 99.2581% (1.00  10.0 10.00   3.51  20.19) =  99.996%  kept
          HA    ALA  110 - QB    PHE   55   6.73 +/- 3.99   4.604% *  0.0861% (0.87   1.0  1.00   0.02   0.19) =   0.004%
        T HA    VAL   42 - QB    PHE   55  17.21 +/- 1.21   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  13.89 +/- 1.45   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 123.6:
    * O T HB    ILE   56 - HA    ILE   56   2.51 +/- 0.21  99.211% * 98.8500% (1.00  10.0 10.00   4.50 123.58) =  99.997%  kept
        T HB3   PRO   58 - HA    ILE   56   6.02 +/- 0.45   0.610% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   7.89 +/- 0.74   0.134% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.34 +/- 1.69   0.033% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.73 +/- 1.91   0.007% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.72 +/- 1.92   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  16.50 +/- 2.06   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.73 +/- 1.27   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.68 +/- 1.28   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  20.12 +/- 1.26   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  22.08 +/- 2.18   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.03 +/- 1.31   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  28.94 +/- 1.74   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 123.6:
    * O   QG2   ILE   56 - HA    ILE   56   2.98 +/- 0.28  99.930% * 98.4757% (1.00  10.0  1.00   4.70 123.58) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.64 +/- 1.54   0.048% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  13.49 +/- 1.14   0.015% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  20.26 +/- 1.18   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  29.78 +/- 1.56   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.80 +/- 1.18   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  24.45 +/- 1.65   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  18.94 +/- 1.13   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.82 +/- 1.16   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  21.45 +/- 1.95   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.6:
    * O T QG1   ILE   56 - HA    ILE   56   2.69 +/- 0.41  99.911% * 97.9351% (1.00  10.0 10.00   3.76 123.58) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  15.33 +/- 2.01   0.004% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.13 +/- 1.61   0.079% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  22.54 +/- 1.66   0.000% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  21.26 +/- 1.64   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.15 +/- 2.14   0.002% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  18.01 +/- 2.06   0.002% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.07 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 123.6:
    * O T HA    ILE   56 - HB    ILE   56   2.51 +/- 0.21  99.798% * 98.4172% (1.00  10.0 10.00   4.50 123.58) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.78 +/- 0.96   0.167% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB    ILE   56   9.84 +/- 0.97   0.032% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  16.36 +/- 2.05   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  22.33 +/- 1.40   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.68 +/- 1.33   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.67 +/- 1.07   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  28.14 +/- 1.25   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.04 +/- 1.53   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 123.6:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.01  99.983% * 98.4757% (1.00  10.0 10.00   5.57 123.58) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.22 +/- 1.76   0.014% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  13.36 +/- 1.34   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.86 +/- 0.97   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.27 +/- 1.34   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.80 +/- 1.16   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.77 +/- 0.87   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  20.56 +/- 1.29   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.20 +/- 1.07   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  21.48 +/- 1.73   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 123.6:
    * O T QG1   ILE   56 - HB    ILE   56   2.26 +/- 0.11  99.665% * 98.7886% (1.00  10.0 10.00   4.53 123.58) = 100.000%  kept
          HB3   MET   92 - HB    ILE   56   8.63 +/- 2.08   0.329% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HB    ILE   56  13.96 +/- 1.99   0.003% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.70 +/- 1.39   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.76 +/- 2.28   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  17.66 +/- 1.82   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.79 +/- 1.30   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 123.6:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.01  99.488% * 98.4311% (1.00  10.0 10.00   5.57 123.58) = 100.000%  kept
          HB2   MET   92 - QG2   ILE   56   7.35 +/- 1.72   0.266% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   6.74 +/- 0.76   0.140% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.10 +/- 0.52   0.080% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.78 +/- 1.62   0.017% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.39 +/- 1.68   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.59 +/- 1.41   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  23.13 +/- 1.65   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.24 +/- 1.54   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.37 +/- 1.67   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.60 +/- 1.91   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  17.05 +/- 1.33   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.99 +/- 1.52   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 123.6:
    * O T QG1   ILE   56 - QG2   ILE   56   2.29 +/- 0.20  97.948% * 98.7886% (1.00  10.0 10.00   4.70 123.58) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   6.32 +/- 1.64   2.026% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  11.15 +/- 1.83   0.012% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.86 +/- 2.13   0.008% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.87 +/- 1.42   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.55 +/- 2.01   0.004% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.62 +/- 1.39   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.6:
    * O T HA    ILE   56 - QG1   ILE   56   2.69 +/- 0.41  97.257% * 98.1263% (1.00  10.0 10.00   3.76 123.58) =  99.998%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.43 +/- 0.89   0.136% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.21 +/- 0.98   2.589% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - QG1   ILE   56  18.33 +/- 1.31   0.001% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.43 +/- 1.07   0.012% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.72 +/- 1.27   0.002% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  17.88 +/- 1.03   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.60 +/- 1.14   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.62 +/- 1.36   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 123.6:
    * O T HB    ILE   56 - QG1   ILE   56   2.26 +/- 0.11  99.469% * 98.6066% (1.00  10.0 10.00   4.53 123.58) = 100.000%  kept
          HB3   PRO   58 - QG1   ILE   56   6.60 +/- 1.09   0.413% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG1   ILE   56  10.11 +/- 1.63   0.019% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.29 +/- 1.69   0.050% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.62 +/- 0.85   0.039% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  12.36 +/- 1.69   0.005% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.67 +/- 1.61   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.63 +/- 1.27   0.000% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.66 +/- 0.98   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.68 +/- 1.49   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.28 +/- 1.79   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.03 +/- 0.97   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.80 +/- 1.29   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 123.6:
    * O T QG2   ILE   56 - QG1   ILE   56   2.29 +/- 0.20  99.945% * 98.4757% (1.00  10.0 10.00   4.70 123.58) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.38 +/- 1.46   0.041% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  11.12 +/- 1.09   0.010% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.48 +/- 0.84   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.53 +/- 1.28   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.24 +/- 0.80   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.62 +/- 1.06   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  15.81 +/- 0.91   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.90 +/- 0.92   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.61 +/- 1.69   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.928, support = 6.57, residual support = 142.7:
    * O T HA    PRO   58 - HD2   PRO   58   3.80 +/- 0.04  42.936% * 97.5352% (0.95  10.0 10.00   6.70 146.48) =  97.434%  kept
          HA    ILE   56 - HD2   PRO   58   3.62 +/- 0.32  56.893% *  1.9382% (0.26   1.0  1.00   1.43   0.02) =   2.566%  kept
          HA    THR   46 - HD2   PRO   58  10.75 +/- 1.61   0.143% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.21 +/- 0.95   0.017% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  16.93 +/- 1.48   0.007% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  19.84 +/- 0.92   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.94 +/- 1.21   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.74 +/- 1.41   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  24.06 +/- 1.34   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.83 +/- 1.37   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  29.26 +/- 1.19   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 146.5:
    * O T HB2   PRO   58 - HD2   PRO   58   3.85 +/- 0.29  99.636% * 99.3830% (0.95  10.0 10.00   6.92 146.48) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.88 +/- 1.12   0.146% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.33 +/- 1.21   0.208% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.80 +/- 1.85   0.010% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.58 +/- 1.10   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  30.04 +/- 1.48   0.000% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.91, residual support = 144.7:
    * O T HB3   PRO   58 - HD2   PRO   58   3.82 +/- 0.29  77.412% * 92.0481% (0.79  10.0 10.00   6.98 146.48) =  98.795%  kept
          HB    ILE   56 - HD2   PRO   58   5.38 +/- 0.77  15.791% *  5.4974% (0.79   1.0  1.00   1.19   0.02) =   1.204%  kept
          HG2   ARG+  54 - HD2   PRO   58   6.65 +/- 1.41   6.652% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HD2   PRO   58  13.04 +/- 2.15   0.097% *  0.1064% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  22.64 +/- 1.29   0.002% *  1.1020% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.79 +/- 1.42   0.018% *  0.0453% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  19.23 +/- 2.88   0.015% *  0.0340% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  29.55 +/- 1.17   0.000% *  1.0425% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.20 +/- 1.64   0.003% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  18.57 +/- 1.37   0.006% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.82 +/- 1.29   0.001% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  31.72 +/- 1.96   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.26 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 146.5:
    * O T HG2   PRO   58 - HD2   PRO   58   2.88 +/- 0.13  99.804% * 98.7160% (0.95  10.0 10.00   6.61 146.48) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.97 +/- 1.11   0.024% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.92 +/- 2.15   0.170% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  23.04 +/- 1.76   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  20.73 +/- 0.93   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.58 +/- 2.06   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  25.29 +/- 1.64   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.31 +/- 1.02   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 146.5:
    * O T HB2   PRO   58 - HA    PRO   58   2.52 +/- 0.22  99.986% * 99.2784% (1.00  10.0 10.00   6.26 146.48) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.42 +/- 1.41   0.009% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  17.57 +/- 1.82   0.001% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.36 +/- 0.98   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.74 +/- 1.07   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  29.33 +/- 1.55   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 146.5:
    * O T HB3   PRO   58 - HA    PRO   58   2.52 +/- 0.22  99.696% * 98.4544% (0.84  10.0 10.00   6.19 146.48) =  99.998%  kept
        T HB    ILE   56 - HA    PRO   58   7.78 +/- 0.96   0.240% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    PRO   58   9.51 +/- 1.32   0.055% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  15.49 +/- 2.01   0.003% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.83 +/- 1.29   0.002% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  20.96 +/- 3.28   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.18 +/- 1.34   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.68 +/- 1.21   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.19 +/- 1.56   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.92 +/- 1.35   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  27.24 +/- 1.16   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  28.42 +/- 1.97   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.5:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.661% * 98.7160% (1.00  10.0 10.00   5.98 146.48) = 100.000%  kept
        T HG3   PRO   52 - HA    PRO   58  15.12 +/- 1.01   0.036% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.53 +/- 1.84   0.276% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  20.06 +/- 1.80   0.007% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  17.47 +/- 1.08   0.015% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.25 +/- 2.01   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.86 +/- 1.08   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  25.18 +/- 1.76   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 146.5:
    * O T HD2   PRO   58 - HA    PRO   58   3.80 +/- 0.04  99.655% * 98.5403% (0.95  10.0 10.00   6.70 146.48) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.12 +/- 1.14   0.341% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  26.03 +/- 1.46   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  26.24 +/- 1.11   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  24.17 +/- 1.99   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 146.5:
    * O T HA    PRO   58 - HB2   PRO   58   2.52 +/- 0.22  99.214% * 99.4356% (1.00  10.0 10.00   6.26 146.48) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.02 +/- 0.51   0.770% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.53 +/- 1.28   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.02 +/- 1.25   0.006% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  15.11 +/- 1.50   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.67 +/- 1.26   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  22.50 +/- 1.12   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.20 +/- 1.79   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  23.78 +/- 1.38   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  29.08 +/- 1.38   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  29.15 +/- 1.22   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 146.5:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.966% * 98.9371% (0.84  10.0 10.00   4.47 146.48) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.82 +/- 1.10   0.027% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   9.86 +/- 1.57   0.006% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.19 +/- 1.74   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.67 +/- 1.44   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.71 +/- 1.38   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.04 +/- 2.82   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  23.33 +/- 1.33   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  18.57 +/- 1.59   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  28.87 +/- 1.18   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  23.80 +/- 1.39   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  30.02 +/- 2.19   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 146.5:
    * O T HG2   PRO   58 - HB2   PRO   58   2.63 +/- 0.33  99.982% * 98.7160% (1.00  10.0 10.00   4.27 146.48) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.56 +/- 1.02   0.003% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  12.39 +/- 1.52   0.013% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  21.96 +/- 1.99   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  18.60 +/- 1.17   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  29.81 +/- 2.19   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.76 +/- 1.08   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  27.20 +/- 1.68   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 146.5:
    * O T HD2   PRO   58 - HB2   PRO   58   3.85 +/- 0.29  99.796% * 98.5403% (0.95  10.0 10.00   6.92 146.48) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.14 +/- 0.90   0.201% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  27.67 +/- 1.48   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  27.99 +/- 1.11   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.01 +/- 1.77   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 146.5:
    * O T HA    PRO   58 - HB3   PRO   58   2.52 +/- 0.22  99.259% * 99.1888% (0.84  10.0 10.00   6.19 146.48) =  99.998%  kept
        T HA    ILE   56 - HB3   PRO   58   6.02 +/- 0.45   0.724% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB3   PRO   58  13.07 +/- 1.21   0.008% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  13.55 +/- 1.48   0.005% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.08 +/- 1.64   0.004% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.75 +/- 1.20   0.001% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  22.56 +/- 1.06   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.29 +/- 1.70   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  29.17 +/- 1.36   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.81 +/- 1.23   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  29.21 +/- 1.17   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 146.5:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.997% * 99.1367% (0.84  10.0 10.00   4.47 146.48) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.68 +/- 1.81   0.002% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.88 +/- 1.73   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.82 +/- 1.09   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  28.28 +/- 1.10   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  31.57 +/- 1.44   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 146.5:
    * O T HG2   PRO   58 - HB3   PRO   58   2.63 +/- 0.33  99.976% * 97.0168% (0.84  10.0 10.00   4.20 146.48) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.45 +/- 1.14   0.004% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.38 +/- 1.65   0.018% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  22.04 +/- 1.97   0.000% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  29.88 +/- 2.18   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  18.60 +/- 1.21   0.001% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  26.82 +/- 0.96   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  27.27 +/- 1.61   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.28 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.98, residual support = 146.5:
    * O T HD2   PRO   58 - HB3   PRO   58   3.82 +/- 0.29  99.799% * 98.5403% (0.79  10.0 10.00   6.98 146.48) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.12 +/- 1.13   0.199% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.71 +/- 1.35   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  28.06 +/- 1.06   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  25.95 +/- 1.97   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.996, support = 5.96, residual support = 145.9:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  45.128% * 97.9061% (1.00  10.0 10.00   5.98 146.48) =  99.614%  kept
          HA    ILE   56 - HG2   PRO   58   3.90 +/- 0.47  52.759% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.384%
          HA    THR   46 - HG3   PRO   52   8.66 +/- 2.19   1.849% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   58 - HG3   PRO   52  15.12 +/- 1.01   0.017% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  12.76 +/- 1.15   0.047% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.92 +/- 0.74   0.125% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.65 +/- 1.03   0.020% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.47 +/- 3.90   0.025% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.18 +/- 1.60   0.020% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.30 +/- 0.97   0.003% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  22.92 +/- 1.04   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  22.27 +/- 1.90   0.002% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.09 +/- 1.52   0.001% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  27.01 +/- 1.89   0.001% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  27.06 +/- 2.01   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  23.98 +/- 1.24   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  30.06 +/- 1.23   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.32 +/- 2.11   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  29.67 +/- 1.06   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.49 +/- 2.01   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  34.49 +/- 2.15   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  32.00 +/- 2.19   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.33 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.541, support = 5.17, residual support = 187.1:
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  89.828% * 10.9746% (0.12  10.0 10.00   5.99 223.95) =  52.462%  kept
    * O T HB2   PRO   58 - HG2   PRO   58   2.63 +/- 0.33  10.167% * 87.8577% (1.00  10.0 10.00   4.27 146.48) =  47.538%  kept
          HB2   GLN  116 - HG2   PRO   58  10.10 +/- 1.47   0.004% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.56 +/- 1.02   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.20 +/- 1.09   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.82 +/- 2.21   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  18.56 +/- 1.71   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.86 +/- 2.17   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  28.44 +/- 0.99   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.40 +/- 2.66   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.68 +/- 2.14   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.88 +/- 1.22   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 146.5:
    * O T HB3   PRO   58 - HG2   PRO   58   2.63 +/- 0.33  83.876% * 96.9979% (0.84  10.0 10.00   4.20 146.48) =  99.982%  kept
          HB2   MET   92 - HG3   PRO   52   6.06 +/- 3.00  10.989% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.012%
          HB    ILE   56 - HG2   PRO   58   5.69 +/- 1.17   4.795% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HB    ILE   56 - HG3   PRO   52   9.89 +/- 1.23   0.051% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.01 +/- 1.52   0.137% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  15.45 +/- 1.14   0.003% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.53 +/- 0.67   0.112% *  0.0145% (0.12   1.0  1.00   0.02   1.75) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.35 +/- 2.84   0.003% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  14.56 +/- 1.68   0.007% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  12.47 +/- 3.16   0.017% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.80 +/- 1.24   0.003% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.08 +/- 1.30   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  15.87 +/- 2.36   0.003% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.66 +/- 2.36   0.002% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.97 +/- 1.43   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.87 +/- 1.06   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.22 +/- 2.42   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.05 +/- 2.00   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  29.49 +/- 1.09   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.61 +/- 2.34   0.000% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.60 +/- 1.18   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.68 +/- 2.07   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  33.72 +/- 2.05   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  39.52 +/- 2.56   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.26 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 146.5:
    * O T HD2   PRO   58 - HG2   PRO   58   2.88 +/- 0.13  98.176% * 98.7117% (0.95  10.0 10.00   6.61 146.48) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.35 +/- 0.95   1.737% *  0.0288% (0.28   1.0  1.00   0.02  53.91) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  11.97 +/- 1.11   0.024% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.06 +/- 0.70   0.062% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.45 +/- 2.27   0.001% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.46 +/- 1.67   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.96 +/- 1.36   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.81 +/- 2.06   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  28.58 +/- 1.00   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  32.08 +/- 2.09   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.5:
    * O T HB2   PHE   59 - HA    PHE   59   2.86 +/- 0.28  99.803% * 99.6348% (1.00  10.0 10.00   3.30  58.51) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.22 +/- 0.63   0.114% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.64 +/- 1.30   0.035% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  12.64 +/- 0.89   0.016% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.20 +/- 1.53   0.015% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  12.98 +/- 1.56   0.017% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.5:
    * O T HB3   PHE   59 - HA    PHE   59   2.70 +/- 0.24  99.999% * 99.9552% (1.00  10.0 10.00   3.98  58.51) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.92 +/- 1.06   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.5:
    * O T HA    PHE   59 - HB2   PHE   59   2.86 +/- 0.28  99.896% * 99.8386% (1.00  10.0 10.00   3.30  58.51) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59   9.52 +/- 1.25   0.101% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.79 +/- 1.68   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.61 +/- 1.57   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  25.69 +/- 1.19   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.5:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.51) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.15 +/- 1.55   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.5:
    * O T HA    PHE   59 - HB3   PHE   59   2.70 +/- 0.24  99.912% * 99.8386% (1.00  10.0 10.00   3.98  58.51) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.34 +/- 0.96   0.086% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  20.16 +/- 1.50   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  20.04 +/- 1.15   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  26.19 +/- 0.96   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.5:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.967% * 99.6348% (1.00  10.0 10.00   3.44  58.51) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.37 +/- 0.86   0.024% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59   9.94 +/- 1.10   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.93 +/- 1.51   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.85 +/- 1.57   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.38 +/- 0.92   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB2   PHE   60 - HA    PHE   60   2.90 +/- 0.16  99.996% * 99.9010% (1.00  10.0 10.00   4.00  71.82) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  16.11 +/- 1.27   0.004% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB3   PHE   60 - HA    PHE   60   2.59 +/- 0.30  99.969% * 99.7797% (1.00  10.0 10.00   4.00  71.82) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   60  12.80 +/- 1.46   0.012% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    PHE   60  11.78 +/- 1.69   0.017% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  16.36 +/- 0.71   0.002% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.91 +/- 1.60   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HA    PHE   60 - HB2   PHE   60   2.90 +/- 0.16  99.896% * 99.8400% (1.00  10.0 10.00   4.00  71.82) = 100.000%  kept
          QB    SER  117 - HB2   PHE   60  12.35 +/- 0.99   0.019% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   PHE   60  10.70 +/- 1.36   0.052% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.84 +/- 1.34   0.017% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.87 +/- 1.14   0.010% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.73 +/- 1.45   0.005% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  71.82) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  13.86 +/- 1.98   0.001% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.66 +/- 2.12   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  16.10 +/- 0.89   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.21 +/- 1.81   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HA    PHE   60 - HB3   PHE   60   2.59 +/- 0.30  99.939% * 99.8400% (1.00  10.0 10.00   4.00  71.82) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.36 +/- 1.63   0.034% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.41 +/- 1.38   0.011% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.62 +/- 1.54   0.009% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.10 +/- 1.43   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.49 +/- 1.80   0.003% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.8:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.82) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  15.55 +/- 2.03   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  99.879% * 98.4786% (1.00  10.0 10.00   2.21  18.01) = 100.000%  kept
        T QB    ALA  110 - HA    ALA   61  12.54 +/- 2.86   0.013% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA   61   7.68 +/- 0.75   0.055% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   8.95 +/- 0.64   0.020% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.16 +/- 1.43   0.006% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.77 +/- 1.13   0.014% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.41 +/- 1.41   0.004% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.33 +/- 0.89   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.64 +/- 2.62   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  18.16 +/- 1.47   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.53 +/- 1.25   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  18.44 +/- 1.50   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.57 +/- 1.90   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  99.619% * 98.9510% (1.00  10.0 10.00   2.21  18.01) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.80 +/- 0.37   0.269% *  0.0444% (0.45   1.0  1.00   0.02   1.00) =   0.000%
        T HA    ALA   61 - QB    ALA  110  12.54 +/- 2.86   0.013% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA  110   8.29 +/- 3.08   0.088% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  11.04 +/- 0.67   0.006% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.28 +/- 1.16   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.08 +/- 2.28   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.42 +/- 2.32   0.002% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  17.47 +/- 1.18   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.99 +/- 2.21   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.81 +/- 0.23  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  18.10 +/- 1.19   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.83 +/- 0.22  99.998% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.74 +/- 0.87   0.001% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  25.81 +/- 1.35   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  26.69 +/- 2.20   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.86 +/- 1.45   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 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   2.81 +/- 0.23  99.976% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.35 +/- 1.66   0.024% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  24.37 +/- 1.00   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.04 +/- 1.06   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  18.00 +/- 1.23   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  25.57 +/- 1.34   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  27.89 +/- 2.09   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.94 +/- 1.43   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.83 +/- 0.22  99.977% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.53 +/- 1.62   0.023% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  24.06 +/- 1.09   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.60 +/- 1.06   0.000% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.4370% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  16.18 +/- 1.29   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 = 242.6:
    * O T HB2   LEU   63 - HA    LEU   63   2.88 +/- 0.11  99.819% * 99.1997% (1.00  10.0 10.00   6.28 242.55) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63  10.32 +/- 1.57   0.074% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  11.29 +/- 3.39   0.064% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.29 +/- 1.58   0.014% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  16.83 +/- 2.01   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  15.63 +/- 1.44   0.005% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  16.49 +/- 1.91   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.56 +/- 2.18   0.012% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  18.58 +/- 1.14   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  21.21 +/- 1.21   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.87 +/- 1.28   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  21.43 +/- 1.34   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  19.38 +/- 2.00   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.42 +/- 0.22  95.403% * 99.7424% (1.00  10.0 10.00   5.98 242.55) =  99.998%  kept
          QG1   VAL  108 - HA    LEU   63  14.08 +/- 3.31   1.550% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   63   6.38 +/- 3.31   2.812% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   7.83 +/- 1.18   0.165% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   8.86 +/- 0.81   0.054% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.81 +/- 1.81   0.016% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HG    LEU   63 - HA    LEU   63   3.15 +/- 0.56  99.450% * 99.8120% (1.00  10.0 10.00   5.98 242.55) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.63 +/- 0.99   0.466% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  13.97 +/- 2.37   0.082% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  20.71 +/- 1.07   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.637, support = 5.75, residual support = 242.5:
        T QD2   LEU   63 - HA    LEU   63   2.63 +/- 0.40  89.772% * 35.7505% (0.57 10.00   5.79 242.55) =  83.589%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.92 +/- 0.19   9.978% * 63.1462% (1.00 10.00   5.56 242.55) =  16.410%  kept
          QD2   LEU  115 - HA    LEU   63   8.00 +/- 1.45   0.214% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.43 +/- 1.22   0.015% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  12.05 +/- 1.99   0.019% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.66 +/- 0.90   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.38 +/- 1.27   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.974, support = 5.78, residual support = 242.6:
    *   T QD2   LEU   63 - HA    LEU   63   2.63 +/- 0.40  89.771% * 63.5438% (1.00 10.00   5.79 242.55) =  94.080%  kept
        T QD1   LEU   63 - HA    LEU   63   3.92 +/- 0.19   9.978% * 35.9756% (0.57 10.00   5.56 242.55) =   5.920%  kept
        T QD1   LEU   73 - HA    LEU   63  12.43 +/- 1.22   0.015% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   63   8.00 +/- 1.45   0.214% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.36 +/- 1.04   0.011% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.20 +/- 1.33   0.008% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.12 +/- 1.22   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.66 +/- 0.90   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.6:
    * O T HA    LEU   63 - HB2   LEU   63   2.88 +/- 0.11  99.998% * 99.2046% (1.00  10.0 10.00   6.28 242.55) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  19.95 +/- 1.08   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  20.26 +/- 0.90   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.735% * 99.7424% (1.00  10.0 10.00   6.31 242.55) = 100.000%  kept
          QG1   VAL  108 - HB2   LEU   63  12.41 +/- 2.55   0.094% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.37 +/- 2.91   0.129% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   7.54 +/- 0.97   0.027% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   8.57 +/- 1.31   0.012% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.88 +/- 1.83   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HG    LEU   63 - HB2   LEU   63   2.58 +/- 0.17  99.613% * 99.8120% (1.00  10.0 10.00   6.31 242.55) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.10 +/- 0.95   0.368% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.52 +/- 2.18   0.018% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  19.07 +/- 1.14   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 6.09, residual support = 242.5:
    * O T QD1   LEU   63 - HB2   LEU   63   2.27 +/- 0.18  82.843% * 63.1462% (1.00  10.0 10.00   6.08 242.55) =  89.776%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.09 +/- 0.28  16.664% * 35.7505% (0.57  10.0 10.00   6.25 242.55) =  10.224%  kept
          QD2   LEU  115 - HB2   LEU   63   6.69 +/- 1.72   0.476% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.38 +/- 1.47   0.011% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  12.06 +/- 1.55   0.005% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.91 +/- 1.03   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.58 +/- 1.20   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.68, support = 6.12, residual support = 242.5:
      O T QD1   LEU   63 - HB2   LEU   63   2.27 +/- 0.18  82.839% * 35.9756% (0.57  10.0 10.00   6.08 242.55) =  73.785%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.09 +/- 0.28  16.663% * 63.5438% (1.00  10.0 10.00   6.25 242.55) =  26.215%  kept
          QD2   LEU  115 - HB2   LEU   63   6.69 +/- 1.72   0.476% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.38 +/- 1.47   0.011% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.52 +/- 1.10   0.006% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  12.19 +/- 1.32   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.27 +/- 1.15   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.91 +/- 1.03   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HA    LEU   63 - HB3   LEU   63   2.42 +/- 0.22  99.999% * 99.8862% (1.00  10.0 10.00   5.98 242.55) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.79 +/- 1.12   0.000% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  19.22 +/- 1.04   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.977% * 99.1997% (1.00  10.0 10.00   6.31 242.55) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.63 +/- 1.72   0.016% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.88 +/- 3.54   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.84 +/- 1.56   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  13.80 +/- 1.39   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  15.50 +/- 1.85   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  15.35 +/- 1.68   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.67 +/- 1.63   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  17.01 +/- 1.23   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  19.66 +/- 1.51   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  20.13 +/- 1.53   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.68 +/- 1.88   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  20.56 +/- 1.36   0.000% *  0.0445% (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 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 = 242.6:
    * O T HG    LEU   63 - HB3   LEU   63   2.97 +/- 0.13  99.222% * 99.8120% (1.00  10.0 10.00   6.00 242.55) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.17 +/- 1.03   0.728% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.40 +/- 2.40   0.048% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  19.27 +/- 1.33   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.82, support = 5.85, residual support = 242.5:
    * O T QD1   LEU   63 - HB3   LEU   63   2.44 +/- 0.18  44.401% * 63.1462% (1.00  10.0 10.00   5.78 242.55) =  58.602%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.37 +/- 0.30  55.402% * 35.7505% (0.57  10.0 10.00   5.94 242.55) =  41.398%  kept
          QD2   LEU  115 - HB3   LEU   63   7.31 +/- 1.88   0.181% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  11.22 +/- 1.44   0.008% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63  10.94 +/- 1.70   0.007% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.31 +/- 1.18   0.000% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.88 +/- 1.43   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 5.89, residual support = 242.6:
    * O T QD2   LEU   63 - HB3   LEU   63   2.37 +/- 0.30  55.400% * 63.5438% (1.00  10.0 10.00   5.94 242.55) =  68.788%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.44 +/- 0.18  44.399% * 35.9756% (0.57  10.0 10.00   5.78 242.55) =  31.212%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.22 +/- 1.44   0.008% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.31 +/- 1.88   0.181% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  11.07 +/- 1.33   0.006% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.67 +/- 1.39   0.005% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.81 +/- 1.17   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.31 +/- 1.18   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HA    LEU   63 - HG    LEU   63   3.15 +/- 0.56  99.994% * 99.8862% (1.00  10.0 10.00   5.98 242.55) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  20.21 +/- 1.95   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  20.07 +/- 1.27   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.58 +/- 0.17  99.648% * 99.1997% (1.00  10.0 10.00   6.31 242.55) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   8.21 +/- 2.43   0.273% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.27 +/- 1.97   0.026% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  12.75 +/- 2.80   0.017% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.39 +/- 2.64   0.013% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  14.46 +/- 1.90   0.004% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  13.16 +/- 2.28   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.75 +/- 1.75   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.41 +/- 1.89   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  19.79 +/- 2.09   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.94 +/- 2.01   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.72 +/- 2.03   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  21.33 +/- 1.86   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.97 +/- 0.13  91.545% * 99.7424% (1.00  10.0 10.00   6.00 242.55) =  99.995%  kept
          QG1   VAL  108 - HG    LEU   63  12.57 +/- 3.31   4.773% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HG    LEU   63   7.69 +/- 1.85   1.206% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   7.60 +/- 2.86   1.871% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU   63   8.27 +/- 1.15   0.468% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  11.75 +/- 2.25   0.137% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.843, support = 5.62, residual support = 242.6:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.894% * 63.0834% (1.00  10.0 10.00   5.54 242.55) =  63.795%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.013% * 35.7149% (0.57  10.0 10.00   5.77 242.55) =  36.205%  kept
          QD2   LEU  115 - HG    LEU   63   7.41 +/- 1.69   0.084% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.40 +/- 2.06   0.006% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  11.84 +/- 1.90   0.002% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  17.66 +/- 1.98   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.04 +/- 1.76   0.000% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.69, residual support = 242.6:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.012% * 63.5438% (1.00  10.0 10.00   5.77 242.55) =  63.906%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.893% * 35.9756% (0.57  10.0 10.00   5.54 242.55) =  36.094%  kept
        T QD1   LEU   73 - HG    LEU   63  11.40 +/- 2.06   0.006% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU   63   7.41 +/- 1.69   0.084% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.42 +/- 1.54   0.003% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.12 +/- 1.83   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.47 +/- 2.16   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.04 +/- 1.76   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 242.5:
    *   T HA    LEU   63 - QD1   LEU   63   3.92 +/- 0.19  95.591% * 98.5216% (1.00 10.00   5.56 242.55) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU   73  12.43 +/- 1.22   0.145% *  0.9852% (1.00 10.00   0.02   0.02) =   0.002%
        T HA    LEU   63 - QD1   LEU  104  12.05 +/- 1.99   0.193% *  0.2412% (0.24 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU  104   7.45 +/- 1.15   3.417% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   73  10.73 +/- 0.87   0.263% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  10.75 +/- 1.39   0.338% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  16.46 +/- 1.51   0.023% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.73 +/- 0.90   0.026% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.30 +/- 0.96   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.15 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 242.5:
    * O T HB2   LEU   63 - QD1   LEU   63   2.27 +/- 0.18  90.663% * 95.2053% (1.00  10.0 10.00   6.08 242.55) =  99.994%  kept
          HB3   ASP-  44 - QD1   LEU   73   8.04 +/- 1.52   2.223% *  0.0933% (0.98   1.0  1.00   0.02   7.19) =   0.002%
          HB3   ASP-  44 - QD1   LEU   63   5.76 +/- 2.17   1.623% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD1   LEU   73   5.94 +/- 1.97   0.810% *  0.0854% (0.90   1.0  1.00   0.02   3.26) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.00 +/- 0.35   3.813% *  0.0132% (0.14   1.0  1.00   0.02  16.52) =   0.001%
        T HB3   LEU   80 - QD1   LEU   73   9.45 +/- 0.97   0.023% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.15 +/- 0.89   0.138% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.38 +/- 1.47   0.010% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.66 +/- 1.03   0.278% *  0.0187% (0.20   1.0  1.00   0.02   6.13) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.20 +/- 1.67   0.084% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.45 +/- 2.00   0.037% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.91 +/- 2.40   0.024% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  12.06 +/- 1.55   0.006% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.48 +/- 1.78   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.07 +/- 0.80   0.014% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.83 +/- 1.52   0.011% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  10.69 +/- 0.87   0.010% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.40 +/- 1.62   0.031% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.46 +/- 2.00   0.006% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  12.06 +/- 4.62   0.019% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.42 +/- 0.60   0.102% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.17 +/- 1.70   0.021% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.38 +/- 1.05   0.007% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.90 +/- 1.56   0.003% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  13.04 +/- 1.41   0.003% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.63 +/- 3.67   0.002% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.61 +/- 1.43   0.008% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.54 +/- 0.84   0.011% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  18.05 +/- 1.14   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.85 +/- 1.54   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.89 +/- 1.14   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.90 +/- 1.05   0.004% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  13.48 +/- 1.64   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.87 +/- 2.46   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.49 +/- 1.35   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.46 +/- 1.04   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.03 +/- 2.23   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.17 +/- 1.05   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.13 +/- 1.22   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 242.5:
    * O T HB3   LEU   63 - QD1   LEU   63   2.44 +/- 0.18  87.828% * 98.2083% (1.00  10.0 10.00   5.78 242.55) =  99.994%  kept
          QD1   LEU  123 - QD1   LEU   63   6.42 +/- 2.47   4.676% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU   73   5.08 +/- 1.04   2.919% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   63   9.31 +/- 2.06   1.226% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   6.47 +/- 1.38   0.839% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   5.82 +/- 0.65   0.684% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   63 - QD1   LEU   73  11.22 +/- 1.44   0.019% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   7.07 +/- 0.98   0.239% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.57 +/- 1.32   0.521% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.79 +/- 0.87   0.116% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.55 +/- 1.85   0.679% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.89 +/- 1.87   0.164% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.94 +/- 1.70   0.018% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  12.93 +/- 1.56   0.011% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.80 +/- 3.20   0.012% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.84 +/- 3.68   0.034% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.10 +/- 1.31   0.008% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.22 +/- 0.59   0.006% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 242.5:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  97.775% * 96.2195% (1.00  10.0 10.00   5.54 242.55) =  99.996%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.67 +/- 0.92   2.087% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   24 - QD1   LEU   73   8.01 +/- 1.36   0.048% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.40 +/- 2.06   0.011% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  10.96 +/- 1.65   0.036% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.18 +/- 1.85   0.017% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.84 +/- 1.90   0.005% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  15.16 +/- 1.51   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   9.07 +/- 0.91   0.018% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  15.36 +/- 1.04   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.31 +/- 3.05   0.001% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.69 +/- 2.27   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 = 5.79, residual support = 242.6:
    *   T HA    LEU   63 - QD2   LEU   63   2.63 +/- 0.40  99.994% * 99.8862% (1.00 10.00   5.79 242.55) = 100.000%  kept
          HB2   HIS   22 - QD2   LEU   63  17.60 +/- 1.52   0.002% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD2   LEU   63  15.68 +/- 1.59   0.004% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 6.25, residual support = 242.5:
    * O T HB2   LEU   63 - QD2   LEU   63   3.09 +/- 0.28  97.898% * 98.3391% (1.00  10.0 10.00   6.25 242.55) =  99.998%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.56 +/- 2.06   1.293% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   9.74 +/- 2.73   0.273% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  11.19 +/- 1.92   0.087% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.36 +/- 1.59   0.106% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  16.92 +/- 1.78   0.005% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  10.27 +/- 2.04   0.226% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  13.13 +/- 2.34   0.031% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  12.40 +/- 2.22   0.043% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  14.36 +/- 1.54   0.013% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.17 +/- 1.95   0.007% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.70 +/- 1.99   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.87 +/- 1.67   0.011% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 242.5:
    * O T HB3   LEU   63 - QD2   LEU   63   2.37 +/- 0.30  89.238% * 99.7424% (1.00  10.0 10.00   5.94 242.55) =  99.995%  kept
          QD1   LEU  123 - QD2   LEU   63   5.65 +/- 2.69   7.044% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  108 - QD2   LEU   63  10.68 +/- 2.46   1.307% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU   63   5.89 +/- 1.22   1.296% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   7.02 +/- 1.53   0.528% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   9.25 +/- 2.26   0.587% *  0.0340% (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 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 242.5:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  99.636% * 98.8183% (1.00  10.0 10.00   5.77 242.55) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   6.00 +/- 0.93   0.353% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  11.54 +/- 2.30   0.010% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD2   LEU   63  16.07 +/- 1.63   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.02  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.80) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.72 +/- 1.06   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 2.02, residual support = 21.4:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  91.434% * 72.6945% (1.00  10.0 10.00   2.00  20.80) =  96.603%  kept
        T HB2   PHE   72 - QB    ALA   64   3.43 +/- 0.56   8.566% * 27.2831% (0.38   1.0 10.00   2.59  39.44) =   3.397%  kept
          HB3   ASN   35 - QB    ALA   64  17.14 +/- 0.91   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 163.6:
    * O T QB    LYS+  65 - HA    LYS+  65   2.40 +/- 0.10  98.497% * 99.3780% (0.92  10.0 10.00   6.30 163.64) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.33 +/- 0.11   0.850% *  0.0563% (0.52   1.0  1.00   0.02  24.94) =   0.000%
          HB3   GLN   17 - HA    LYS+  65   6.44 +/- 1.43   0.593% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  11.75 +/- 1.21   0.009% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.94 +/- 1.98   0.002% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.89 +/- 2.93   0.028% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  15.75 +/- 1.07   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.00 +/- 2.04   0.001% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  15.85 +/- 4.79   0.004% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.17 +/- 1.90   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.86 +/- 5.42   0.002% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  16.61 +/- 5.13   0.009% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  17.58 +/- 2.22   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.47 +/- 1.35   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  18.75 +/- 4.50   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.79 +/- 2.51   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.875, support = 5.42, residual support = 170.9:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.86 +/- 0.56  39.430% * 53.0514% (0.92  10.0 10.00   5.27 163.64) =  94.102%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.61 +/- 0.24  53.799% *  1.4928% (0.03  10.0 10.00   8.24 314.63) =   3.613%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.90 +/- 0.36   6.388% *  5.9339% (0.10   1.0 10.00   7.67 314.63) =   1.705%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.17 +/- 0.35   0.334% * 38.5232% (0.67   1.0 10.00   5.46  24.94) =   0.579%  kept
        T HD2   LYS+ 121 - HA    LYS+  65  16.81 +/- 3.22   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  12.21 +/- 3.13   0.010% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.78 +/- 1.37   0.004% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.38 +/- 1.05   0.006% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.95 +/- 2.55   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.62 +/- 0.96   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.77 +/- 2.21   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.48 +/- 1.39   0.003% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  13.34 +/- 5.62   0.012% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.82 +/- 5.41   0.006% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.81 +/- 1.56   0.000% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.49 +/- 1.77   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.69 +/- 1.46   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.75 +/- 0.99   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.32 +/- 2.41   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.98 +/- 2.28   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.919, support = 5.25, residual support = 162.9:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.99 +/- 0.59  83.418% * 94.0974% (0.92  10.0 10.00   5.27 163.64) =  99.564%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.32 +/- 0.42  16.355% *  2.1015% (0.02   1.0 10.00   6.72 314.63) =   0.436%
          HB    VAL   42 - HA    LYS+  65  10.67 +/- 0.98   0.075% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.40 +/- 1.44   0.002% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  13.11 +/- 3.27   0.021% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.33 +/- 1.63   0.002% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.42 +/- 3.15   0.008% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.03 +/- 0.80   0.011% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.27 +/- 1.80   0.013% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  23.91 +/- 2.10   0.001% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  19.50 +/- 5.63   0.006% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.34 +/- 1.23   0.019% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.09 +/- 2.02   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.45 +/- 2.20   0.003% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.00 +/- 1.02   0.006% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.62 +/- 3.82   0.013% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.01 +/- 1.43   0.004% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.23 +/- 1.02   0.007% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.40 +/- 4.37   0.011% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.24 +/- 1.16   0.003% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  25.62 +/- 4.21   0.000% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  20.12 +/- 1.31   0.002% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.29 +/- 2.22   0.006% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.59 +/- 3.70   0.002% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  16.91 +/- 4.41   0.007% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.70 +/- 3.17   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  21.66 +/- 1.88   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.33 +/- 2.16   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.814, support = 5.22, residual support = 183.7:
    *   T QD    LYS+  65 - HA    LYS+  65   3.21 +/- 0.67  41.387% * 86.8789% (0.92   1.0 10.00   4.75 163.64) =  86.716%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.94 +/- 0.08  56.296% *  9.7826% (0.10  10.0 10.00   8.32 314.63) =  13.282%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.03 +/- 0.30   2.260% *  0.0334% (0.04   1.0 10.00   0.02   2.19) =   0.002%
        T HB2   LYS+ 121 - HA    LYS+  65  16.19 +/- 2.64   0.003% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  15.06 +/- 3.48   0.005% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.42 +/- 1.13   0.011% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.66 +/- 1.53   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.22 +/- 0.70   0.018% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.95 +/- 2.30   0.001% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  17.68 +/- 5.15   0.004% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.93 +/- 1.97   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  20.22 +/- 5.65   0.001% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.13 +/- 2.32   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.73 +/- 1.55   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  22.41 +/- 2.16   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.18 +/- 1.33   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.75 +/- 1.91   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.42 +/- 0.93   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.37 +/- 2.71   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.44 +/- 1.02   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.14 +/- 2.11   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.49 +/- 2.35   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 163.6:
    *   T QE    LYS+  65 - HA    LYS+  65   4.31 +/- 0.34  99.892% * 97.2340% (0.92 10.00   4.75 163.64) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.61 +/- 2.05   0.048% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.81 +/- 1.15   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.71 +/- 1.26   0.005% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.67 +/- 1.73   0.026% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  24.04 +/- 4.04   0.006% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  24.54 +/- 1.36   0.004% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.48 +/- 1.36   0.005% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  25.18 +/- 3.07   0.003% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  25.81 +/- 5.25   0.004% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  29.06 +/- 3.32   0.001% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.20 +/- 2.41   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 163.6:
    * O T HA    LYS+  65 - QB    LYS+  65   2.40 +/- 0.10  99.608% * 98.7802% (0.92  10.0 10.00   6.30 163.64) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   6.66 +/- 1.10   0.375% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.94 +/- 1.98   0.002% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  12.27 +/- 2.26   0.009% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.32 +/- 0.83   0.002% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  16.86 +/- 1.02   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.52 +/- 1.45   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.33 +/- 1.13   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.33 +/- 0.95   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  22.97 +/- 1.87   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  22.24 +/- 0.88   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  24.01 +/- 2.62   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.56, residual support = 161.9:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.40 +/- 0.13  98.225% * 57.5064% (1.00  10.0 10.00   5.57 163.64) =  98.728%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.89 +/- 0.45   1.743% * 41.7582% (0.73   1.0 10.00   5.33  24.94) =   1.272%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.68 +/- 2.71   0.005% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  11.83 +/- 0.87   0.008% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.18 +/- 0.77   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.67 +/- 1.17   0.010% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.59 +/- 1.08   0.004% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.78 +/- 1.89   0.003% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.75 +/- 1.38   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.37 +/- 1.32   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.6:
    * O T QD    LYS+  65 - QB    LYS+  65   2.14 +/- 0.11  99.964% * 97.4795% (1.00  10.0 10.00   5.04 163.64) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.94 +/- 0.64   0.023% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.87 +/- 1.79   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.56 +/- 0.87   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.18 +/- 1.23   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  14.02 +/- 2.06   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  12.70 +/- 2.62   0.004% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.63 +/- 1.83   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.53 +/- 2.08   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  18.83 +/- 1.94   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.68 +/- 0.77   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.6:
    *   T QE    LYS+  65 - QB    LYS+  65   3.30 +/- 0.43  99.986% * 98.8300% (1.00 10.00   5.04 163.64) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.69 +/- 1.80   0.009% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.85 +/- 0.83   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  22.61 +/- 1.30   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  22.18 +/- 0.96   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.24 +/- 1.20   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 163.6:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.86 +/- 0.56  99.063% * 97.8884% (0.92  10.0 10.00   5.27 163.64) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.16 +/- 1.71   0.901% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  14.92 +/- 2.49   0.019% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.77 +/- 2.21   0.004% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  19.82 +/- 2.47   0.002% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.44 +/- 1.81   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.80 +/- 0.98   0.005% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.96 +/- 1.82   0.002% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.96 +/- 1.80   0.002% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  24.99 +/- 2.80   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  26.27 +/- 3.65   0.001% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  24.15 +/- 1.80   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.56, residual support = 162.9:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.40 +/- 0.13  98.062% * 63.6862% (1.00  10.0 10.00   5.57 163.64) =  99.484%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.10 +/- 0.93   0.898% * 36.0562% (0.57   1.0 10.00   4.56  24.94) =   0.516%  kept
          HB3   GLN   17 - HG2   LYS+  65   6.94 +/- 2.39   1.033% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+  65  13.32 +/- 1.54   0.005% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.95 +/- 2.50   0.001% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.04 +/- 1.51   0.001% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.43 +/- 2.03   0.000% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.45 +/- 1.42   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.6:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.29 +/- 0.08  99.958% * 96.4735% (1.00  10.0 10.00   4.44 163.64) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.84 +/- 1.93   0.009% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.62 +/- 2.31   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.65 +/- 1.41   0.028% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.45 +/- 1.48   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.19 +/- 2.33   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.44 +/- 2.96   0.002% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.34 +/- 2.26   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.59 +/- 2.27   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.60 +/- 2.42   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.31 +/- 2.11   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.6:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.72 +/- 0.27  99.997% * 98.8300% (1.00  10.0 10.00   4.44 163.64) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.91 +/- 2.22   0.002% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.53 +/- 2.05   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  24.57 +/- 2.41   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  24.28 +/- 1.71   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.62 +/- 1.89   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 163.6:
    *   T HA    LYS+  65 - QD    LYS+  65   3.21 +/- 0.67  94.379% * 96.9449% (0.92 10.00   4.75 163.64) =  99.996%  kept
          HA2   GLY   16 - QD    LYS+  65   6.54 +/- 1.76   3.376% *  0.1014% (0.97  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  65  16.93 +/- 1.97   0.009% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.56 +/- 1.34   0.695% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  14.22 +/- 2.24   0.033% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.10 +/- 1.05   0.789% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.61 +/- 2.45   0.159% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  17.68 +/- 5.15   0.015% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.73 +/- 1.55   0.010% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.18 +/- 1.33   0.011% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.55 +/- 2.23   0.088% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  20.22 +/- 5.65   0.006% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  18.51 +/- 2.19   0.007% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.66 +/- 1.53   0.003% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.53 +/- 0.58   0.136% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  17.89 +/- 1.53   0.007% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  21.95 +/- 2.30   0.002% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.60 +/- 3.30   0.013% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.46 +/- 1.73   0.006% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.02 +/- 0.87   0.012% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.13 +/- 2.35   0.055% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.13 +/- 2.32   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.42 +/- 1.25   0.010% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.69 +/- 1.19   0.013% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.51 +/- 3.41   0.023% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  22.41 +/- 2.16   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.71 +/- 1.60   0.005% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.80 +/- 1.61   0.010% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.27 +/- 3.00   0.013% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  23.43 +/- 2.68   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  20.38 +/- 4.42   0.005% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.18 +/- 3.42   0.022% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.64 +/- 1.85   0.006% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.25 +/- 2.64   0.005% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  21.82 +/- 3.06   0.003% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.90 +/- 2.85   0.010% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  20.90 +/- 3.10   0.003% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.11 +/- 2.39   0.010% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.12 +/- 2.66   0.005% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  22.15 +/- 5.00   0.003% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  17.91 +/- 3.16   0.011% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.09 +/- 2.88   0.002% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.17 +/- 3.45   0.007% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  24.80 +/- 3.33   0.001% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.90 +/- 1.34   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.68 +/- 1.81   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  23.81 +/- 1.80   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.13 +/- 0.77   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  19.44 +/- 3.19   0.005% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.30 +/- 2.54   0.002% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  27.19 +/- 2.59   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.64 +/- 2.66   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  26.57 +/- 2.35   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.10 +/- 0.84   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.52 +/- 2.16   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.01 +/- 2.22   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.77 +/- 0.99   0.001% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.75 +/- 1.49   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.65 +/- 1.73   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.54 +/- 2.18   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.11 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.886, support = 5.0, residual support = 163.1:
    * O T QB    LYS+  65 - QD    LYS+  65   2.14 +/- 0.11  57.298% * 77.3143% (1.00  10.0 10.00   5.04 163.64) =  84.907%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.31 +/- 0.35  41.108% * 19.1545% (0.25  10.0 10.00   4.75 159.91) =  15.092%  kept
          HB3   GLN   17 - QD    LYS+  65   6.50 +/- 2.33   1.183% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD    LYS+  65   6.23 +/- 0.53   0.107% *  0.0438% (0.57   1.0  1.00   0.02  24.94) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.28 +/- 2.56   0.037% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.71 +/- 1.68   0.026% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.35 +/- 0.91   0.193% *  0.0049% (0.06   1.0  1.00   0.02  22.38) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.54 +/- 1.76   0.006% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.71 +/- 2.44   0.021% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.18 +/- 0.98   0.006% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.20 +/- 2.25   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.04 +/- 1.54   0.002% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.44 +/- 2.27   0.005% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.58 +/- 1.37   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.34 +/- 1.95   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.26 +/- 1.05   0.003% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.53 +/- 2.08   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.83 +/- 1.94   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.63 +/- 1.83   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.18 +/- 1.23   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.19 +/- 1.31   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.00 +/- 2.16   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.89 +/- 1.55   0.002% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  17.71 +/- 2.32   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.06 +/- 2.16   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.03 +/- 1.88   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.32 +/- 1.13   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.96 +/- 2.74   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.56 +/- 2.08   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  17.08 +/- 1.06   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.64 +/- 1.31   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.62 +/- 2.35   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.64 +/- 1.50   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.84 +/- 2.64   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.45 +/- 2.82   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.89 +/- 2.19   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.06 +/- 2.69   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.75 +/- 2.58   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  26.35 +/- 2.50   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  25.72 +/- 2.36   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.6:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.29 +/- 0.08  82.773% * 94.3122% (1.00  10.0 10.00   4.44 163.64) =  99.992%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.41 +/- 0.45  11.813% *  0.0253% (0.03  10.0  1.00   0.02 315.54) =   0.004%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.74 +/- 0.20   4.514% *  0.0409% (0.04  10.0  1.00   0.02 315.54) =   0.002%
        T QD    LYS+  66 - QD    LYS+  65   6.47 +/- 0.61   0.203% *  0.6848% (0.73   1.0 10.00   0.02  24.94) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  11.90 +/- 1.34   0.006% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.14 +/- 2.20   0.438% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.89 +/- 1.91   0.008% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   6.99 +/- 1.17   0.185% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.65 +/- 2.69   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  16.15 +/- 4.91   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  15.50 +/- 2.30   0.002% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.77 +/- 1.87   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.01 +/- 1.57   0.001% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.92 +/- 0.86   0.030% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  16.31 +/- 4.90   0.002% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  19.33 +/- 5.12   0.000% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.24 +/- 2.61   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.43 +/- 1.44   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.62 +/- 2.14   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.18 +/- 1.42   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.78 +/- 1.09   0.009% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.34 +/- 2.26   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  21.55 +/- 2.23   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.19 +/- 2.33   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.88 +/- 1.62   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.20 +/- 0.93   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.59 +/- 2.27   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  15.05 +/- 1.99   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.45 +/- 1.48   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  19.49 +/- 5.29   0.000% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.38 +/- 1.91   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.70 +/- 0.55   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  19.34 +/- 2.44   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  20.46 +/- 1.77   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.35 +/- 1.47   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.57 +/- 2.37   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  19.65 +/- 1.69   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.91 +/- 1.49   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  14.92 +/- 1.27   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  21.95 +/- 0.71   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  21.13 +/- 2.00   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  23.95 +/- 1.92   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.51 +/- 2.83   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  23.75 +/- 1.68   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  18.90 +/- 2.37   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.44 +/- 2.25   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.96 +/- 2.31   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.40 +/- 2.74   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.08 +/- 2.33   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.64 +/- 2.52   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 = 163.6:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.932% * 97.0780% (1.00  10.0 10.00   4.00 163.64) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.80 +/- 1.26   0.008% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.77 +/- 0.62   0.045% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.73 +/- 2.06   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  15.57 +/- 2.10   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.50 +/- 2.55   0.009% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  15.29 +/- 4.41   0.003% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.15 +/- 2.00   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.56 +/- 2.01   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.76 +/- 1.62   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.44 +/- 1.96   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.44 +/- 2.20   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.65 +/- 0.63   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  23.30 +/- 2.13   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.07 +/- 1.85   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.80 +/- 1.76   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.21 +/- 1.76   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.14 +/- 2.54   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.97 +/- 2.85   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.89 +/- 2.36   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.95 +/- 2.93   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.08 +/- 2.55   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.23 +/- 2.63   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.79 +/- 2.53   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.11 +/- 2.70   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.47 +/- 2.46   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.42 +/- 2.12   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.58 +/- 2.97   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  27.89 +/- 0.95   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.47 +/- 2.49   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.909, support = 4.72, residual support = 161.1:
    *   T HA    LYS+  65 - QE    LYS+  65   4.31 +/- 0.34  77.213% * 88.0388% (0.92 10.00   4.75 163.64) =  98.309%  kept
        T HA    GLN   32 - QE    LYS+  33   6.84 +/- 1.32  11.946% *  9.7024% (0.10 10.00   3.28  11.35) =   1.676%  kept
          HA2   GLY   16 - QE    LYS+  65   7.28 +/- 1.77  10.391% *  0.0920% (0.97  1.00   0.02   0.02) =   0.014%
        T HA    LYS+  65 - QE    LYS+  33  16.61 +/- 2.05   0.039% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.67 +/- 1.73   0.021% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  13.59 +/- 2.06   0.149% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.95 +/- 1.99   0.064% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  17.83 +/- 2.93   0.023% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  17.77 +/- 2.02   0.021% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  24.04 +/- 4.04   0.005% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.73 +/- 2.08   0.021% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.41 +/- 0.97   0.030% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.03 +/- 1.81   0.004% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.05 +/- 2.17   0.018% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.31 +/- 1.39   0.012% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  23.26 +/- 2.85   0.005% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.73 +/- 1.14   0.010% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.36 +/- 1.84   0.006% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  24.34 +/- 3.85   0.005% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  24.71 +/- 3.56   0.006% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.26 +/- 2.24   0.008% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.42 +/- 2.06   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.65 +/- 2.69   0.002% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.24 +/- 2.15   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 5.03, residual support = 163.3:
    *   T QB    LYS+  65 - QE    LYS+  65   3.30 +/- 0.43  85.596% * 87.7456% (1.00 10.00   5.04 163.64) =  99.820%  kept
          QB    LYS+  66 - QE    LYS+  65   7.14 +/- 0.77   1.148% * 11.2405% (0.57  1.00   4.53  24.94) =   0.172%
          HB3   GLN   17 - QE    LYS+  65   6.53 +/- 2.39  10.002% *  0.0532% (0.61  1.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QE    LYS+  33   7.87 +/- 2.65   2.781% *  0.0450% (0.51  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  33   9.18 +/- 1.33   0.346% *  0.0169% (0.19  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  16.69 +/- 1.80   0.007% *  0.4511% (0.51 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.65 +/- 1.34   0.025% *  0.0876% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.27 +/- 2.20   0.047% *  0.0274% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  14.83 +/- 1.70   0.015% *  0.0442% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  17.00 +/- 2.40   0.007% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.05 +/- 1.56   0.006% *  0.0329% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  17.02 +/- 1.63   0.006% *  0.0255% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.99 +/- 1.72   0.002% *  0.0860% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.02 +/- 1.52   0.009% *  0.0112% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.16 +/- 1.47   0.001% *  0.0219% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.18 +/- 1.49   0.001% *  0.0377% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.6:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.72 +/- 0.27  98.201% * 98.8048% (1.00  10.0 10.00   4.44 163.64) =  99.999%  kept
          QD    LYS+  66 - QE    LYS+  65   7.45 +/- 1.32   1.198% *  0.0717% (0.73   1.0  1.00   0.02  24.94) =   0.001%
          QG2   THR   26 - QE    LYS+  33   7.67 +/- 1.39   0.478% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  11.55 +/- 1.88   0.027% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  17.91 +/- 2.22   0.002% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.41 +/- 2.41   0.041% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.83 +/- 1.75   0.005% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.56 +/- 1.65   0.010% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.87 +/- 1.75   0.022% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  17.35 +/- 2.62   0.002% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.69 +/- 1.45   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  18.33 +/- 1.89   0.001% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.42 +/- 1.74   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.46 +/- 1.53   0.003% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.09 +/- 1.42   0.003% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.70 +/- 3.69   0.000% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  20.10 +/- 1.55   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.05 +/- 1.38   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  22.99 +/- 4.02   0.000% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.14 +/- 2.36   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 163.6:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.944% * 96.2302% (1.00  10.0 10.00   4.00 163.64) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.80 +/- 1.26   0.008% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.58 +/- 1.68   0.035% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.47 +/- 2.15   0.007% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.73 +/- 2.06   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  15.57 +/- 2.10   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.76 +/- 1.62   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.64 +/- 1.89   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.56 +/- 2.01   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.15 +/- 2.00   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.42 +/- 2.28   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.96 +/- 1.58   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.56 +/- 2.41   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  16.59 +/- 1.77   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.44 +/- 1.96   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.89 +/- 2.23   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  22.72 +/- 3.82   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.08 +/- 1.96   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.14 +/- 2.54   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.89 +/- 2.36   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  24.56 +/- 4.40   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.22 +/- 1.51   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.98, residual support = 112.8:
    * O T QB    LYS+  66 - HA    LYS+  66   2.41 +/- 0.11  96.015% * 86.1271% (1.00  10.0 10.00   4.98 113.34) =  99.385%  kept
          QB    LYS+  65 - HA    LYS+  66   4.17 +/- 0.23   3.934% * 13.0014% (0.57   1.0  1.00   5.33  24.94) =   0.615%  kept
          HG    LEU  123 - HA    LYS+  66  10.81 +/- 4.34   0.044% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.28 +/- 1.19   0.005% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.88 +/- 0.95   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.65 +/- 1.05   0.000% *  0.4876% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.91 +/- 1.95   0.000% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.53 +/- 1.95   0.000% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.42 +/- 1.31   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 112.8:
    * O T QG    LYS+  66 - HA    LYS+  66   2.65 +/- 0.27  97.727% * 72.3676% (1.00  10.0 10.00   4.31 113.34) =  99.497%  kept
        T HG    LEU   67 - HA    LYS+  66   6.24 +/- 0.92   1.315% * 27.1604% (0.38   1.0 10.00   4.20   9.87) =   0.503%  kept
          HB3   LEU   67 - HA    LYS+  66   6.17 +/- 0.43   0.783% *  0.0685% (0.95   1.0  1.00   0.02   9.87) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.26 +/- 0.51   0.144% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.79 +/- 2.22   0.008% *  0.0439% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.43 +/- 1.16   0.009% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.71 +/- 1.29   0.005% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.54 +/- 1.33   0.004% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  16.01 +/- 0.93   0.002% *  0.0685% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.09 +/- 2.30   0.000% *  0.0628% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  24.93 +/- 1.41   0.000% *  0.0468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.23 +/- 1.08   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 112.6:
    *   T QD    LYS+  66 - HA    LYS+  66   2.34 +/- 0.52  95.177% * 85.1875% (1.00 10.00   4.31 113.34) =  99.186%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.09 +/- 1.05   4.811% * 13.8332% (0.73  1.00   4.47  24.94) =   0.814%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  14.54 +/- 3.51   0.005% *  0.6821% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  14.66 +/- 2.74   0.003% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.96 +/- 1.26   0.001% *  0.0448% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  17.72 +/- 1.87   0.001% *  0.0585% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.83 +/- 0.89   0.001% *  0.0320% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.53 +/- 0.66   0.001% *  0.0551% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.01 +/- 1.63   0.000% *  0.0482% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 113.3:
    *   T QE    LYS+  66 - HA    LYS+  66   3.99 +/- 0.30  99.613% * 99.6609% (1.00 10.00   3.74 113.34) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.58 +/- 0.82   0.382% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.58 +/- 0.85   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  24.29 +/- 0.72   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 113.3:
    * O T HA    LYS+  66 - QB    LYS+  66   2.41 +/- 0.11  99.892% * 99.9488% (1.00  10.0 10.00   4.98 113.34) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   7.84 +/- 0.73   0.107% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  21.61 +/- 0.86   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  24.09 +/- 1.12   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.02  99.005% * 98.2238% (1.00  10.0 10.00   4.31 113.34) =  99.997%  kept
        T HG    LEU   67 - QB    LYS+  66   5.54 +/- 0.89   0.619% *  0.3686% (0.38   1.0 10.00   0.02   9.87) =   0.002%
          HB3   LEU   67 - QB    LYS+  66   5.57 +/- 0.43   0.294% *  0.0929% (0.95   1.0  1.00   0.02   9.87) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.09 +/- 0.42   0.063% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.39 +/- 1.97   0.005% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.05 +/- 1.18   0.005% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.11 +/- 1.26   0.005% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.44 +/- 1.91   0.000% *  0.8520% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.79 +/- 1.01   0.001% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.16 +/- 1.19   0.002% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.49 +/- 1.39   0.000% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.64 +/- 0.98   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    * O T QD    LYS+  66 - QB    LYS+  66   2.31 +/- 0.14  99.212% * 98.1588% (1.00  10.0 10.00   4.31 113.34) =  99.994%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.10 +/- 0.93   0.682% *  0.7128% (0.73   1.0 10.00   0.02  24.94) =   0.005%
        T HD2   LYS+ 121 - QB    LYS+  66  10.89 +/- 3.23   0.074% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  11.02 +/- 2.55   0.022% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.47 +/- 1.14   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  14.40 +/- 1.67   0.002% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.63 +/- 0.81   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.67 +/- 1.48   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.47 +/- 0.62   0.001% *  0.0635% (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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 113.3:
    *   T QE    LYS+  66 - QB    LYS+  66   3.06 +/- 0.57  99.879% * 99.6609% (1.00 10.00   3.73 113.34) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66  10.11 +/- 0.87   0.118% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.35 +/- 0.79   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  21.49 +/- 0.80   0.001% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    * O T HA    LYS+  66 - QG    LYS+  66   2.65 +/- 0.27  82.651% * 99.8680% (1.00  10.0 10.00   4.31 113.34) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   6.24 +/- 0.92   1.218% *  0.0769% (0.08   1.0 10.00   0.02   9.87) =   0.001%
          HA1   GLY   16 - HG    LEU   67   5.35 +/- 2.40  16.008% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   8.33 +/- 0.77   0.122% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.75 +/- 1.30   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.69 +/- 1.33   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  19.20 +/- 1.26   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  24.70 +/- 1.33   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 112.8:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.02  95.109% * 85.2519% (1.00  10.0 10.00   4.31 113.34) =  99.402%  kept
          QB    LYS+  65 - QG    LYS+  66   3.93 +/- 0.92   3.787% * 12.8683% (0.57   1.0  1.00   5.33  24.94) =   0.597%  kept
        T QB    LYS+  66 - HG    LEU   67   5.54 +/- 0.89   0.607% *  0.0656% (0.08   1.0 10.00   0.02   9.87) =   0.000%
          HG    LEU  123 - QG    LYS+  66   8.14 +/- 4.10   0.218% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.54 +/- 1.51   0.001% *  0.8064% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   8.63 +/- 1.50   0.144% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.18 +/- 1.12   0.092% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.35 +/- 2.19   0.000% *  0.5856% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.80 +/- 1.32   0.003% *  0.0621% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  12.93 +/- 5.41   0.032% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  12.97 +/- 1.28   0.002% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.66 +/- 2.78   0.002% *  0.0451% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.18 +/- 1.81   0.001% *  0.0765% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.87 +/- 1.72   0.000% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.57 +/- 1.25   0.000% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.02 +/- 2.07   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.91 +/- 2.13   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  23.35 +/- 1.73   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.0, residual support = 112.8:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  96.255% * 85.0924% (1.00  10.0 10.00   4.00 113.34) =  99.432%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.87 +/- 1.41   3.399% * 13.7617% (0.73   1.0  1.00   4.45  24.94) =   0.568%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  11.80 +/- 3.39   0.021% *  0.6814% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG    LEU   67   7.09 +/- 1.08   0.212% *  0.0655% (0.08   1.0 10.00   0.02   9.87) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  13.86 +/- 4.53   0.017% *  0.0525% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  11.92 +/- 2.61   0.006% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.20 +/- 1.52   0.070% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.55 +/- 2.27   0.001% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  12.89 +/- 1.59   0.002% *  0.0246% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  13.96 +/- 1.25   0.001% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  13.97 +/- 4.69   0.007% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.81 +/- 1.50   0.001% *  0.0482% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.23 +/- 0.75   0.001% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.11 +/- 0.82   0.000% *  0.0550% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  13.72 +/- 2.55   0.003% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  13.76 +/- 1.63   0.002% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  15.00 +/- 1.20   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.65 +/- 2.82   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 = 3.42, residual support = 113.3:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.14  97.790% * 99.5585% (1.00  10.0 10.00   3.42 113.34) =  99.998%  kept
        T QE    LYS+  66 - HG    LEU   67   7.92 +/- 1.71   2.151% *  0.0766% (0.08   1.0 10.00   0.02   9.87) =   0.002%
          HB2   ASN   69 - QG    LYS+  66  11.21 +/- 1.06   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.91 +/- 0.66   0.051% *  0.0024% (0.02   1.0  1.00   0.02   2.96) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.89 +/- 0.97   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.66 +/- 1.36   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  20.37 +/- 1.39   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  19.13 +/- 1.19   0.000% *  0.0066% (0.07   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 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    *   T HA    LYS+  66 - QD    LYS+  66   2.34 +/- 0.52  99.899% * 99.8184% (1.00 10.00   4.31 113.34) = 100.000%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  14.54 +/- 3.51   0.012% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD    LYS+  66   8.63 +/- 0.83   0.086% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.99 +/- 1.06   0.001% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.32 +/- 1.45   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.40 +/- 3.63   0.002% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  26.25 +/- 4.96   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.31 +/- 2.59   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.3:
    * O T QB    LYS+  66 - QD    LYS+  66   2.31 +/- 0.14  98.248% * 98.6916% (1.00  10.0 10.00   4.31 113.34) =  99.992%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.89 +/- 0.45   1.329% *  0.5587% (0.57   1.0 10.00   0.02  24.94) =   0.008%
          HG    LEU  123 - QD    LYS+  66   8.64 +/- 4.29   0.276% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  10.89 +/- 3.23   0.073% *  0.1227% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.65 +/- 0.86   0.042% *  0.0069% (0.07   1.0  1.00   0.02   2.19) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.68 +/- 2.71   0.004% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.55 +/- 1.09   0.003% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  14.46 +/- 5.19   0.012% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.39 +/- 1.40   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.94 +/- 2.00   0.001% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  14.32 +/- 4.69   0.005% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  17.90 +/- 2.10   0.001% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.89 +/- 1.78   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  15.88 +/- 2.35   0.002% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.95 +/- 4.46   0.001% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  21.31 +/- 1.37   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.55 +/- 4.79   0.001% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.90 +/- 2.17   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 113.3:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  99.623% * 98.6304% (1.00  10.0 10.00   4.00 113.34) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   7.09 +/- 1.08   0.213% *  0.3702% (0.38   1.0 10.00   0.02   9.87) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.24 +/- 0.50   0.064% *  0.0933% (0.95   1.0  1.00   0.02   9.87) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  11.80 +/- 3.39   0.021% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+  66   8.24 +/- 0.62   0.029% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  13.86 +/- 4.53   0.017% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  12.78 +/- 5.19   0.007% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.95 +/- 1.40   0.007% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.91 +/- 1.81   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.86 +/- 1.62   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.87 +/- 1.96   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  13.97 +/- 4.27   0.005% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.88 +/- 1.24   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.90 +/- 1.16   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.43 +/- 2.08   0.002% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.25 +/- 1.39   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.19 +/- 2.25   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  17.62 +/- 5.55   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.26 +/- 3.71   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.69 +/- 1.46   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.24 +/- 3.84   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.85 +/- 1.26   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.03 +/- 2.82   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.65 +/- 3.09   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 = 113.3:
    * O T QE    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  99.976% * 99.4957% (1.00  10.0 10.00   3.31 113.34) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  12.04 +/- 3.78   0.017% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  10.78 +/- 0.94   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  22.44 +/- 1.03   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  23.15 +/- 1.06   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.51 +/- 4.58   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  24.88 +/- 2.06   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.89 +/- 4.84   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 113.3:
    *   T HA    LYS+  66 - QE    LYS+  66   3.99 +/- 0.30  97.438% * 99.7309% (1.00 10.00   3.74 113.34) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   7.80 +/- 0.48   2.077% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66   9.88 +/- 1.00   0.470% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.58 +/- 0.85   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.72 +/- 1.73   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.71 +/- 1.44   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.27 +/- 0.82   0.006% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  24.66 +/- 0.89   0.002% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.74, residual support = 112.4:
    *   T QB    LYS+  66 - QE    LYS+  66   3.06 +/- 0.57  88.525% * 87.7571% (1.00 10.00   3.73 113.34) =  98.992%  kept
          QB    LYS+  65 - QE    LYS+  66   5.84 +/- 0.89   6.850% * 11.5176% (0.57  1.00   4.64  24.94) =   1.005%  kept
          HG    LEU  123 - QE    LYS+  66   7.91 +/- 4.56   4.556% *  0.0497% (0.57  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QE    LYS+  66  14.44 +/- 1.48   0.015% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.91 +/- 1.91   0.008% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.95 +/- 2.61   0.007% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.78 +/- 1.98   0.003% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.35 +/- 0.79   0.001% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.94 +/- 2.14   0.003% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  15.44 +/- 1.33   0.007% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  16.48 +/- 1.16   0.005% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.53 +/- 1.96   0.008% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  21.10 +/- 1.60   0.001% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  19.16 +/- 2.34   0.002% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.83 +/- 0.90   0.003% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.58 +/- 0.97   0.002% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  21.46 +/- 1.44   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.26 +/- 2.62   0.001% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 113.3:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.14  95.757% * 98.5716% (1.00  10.0 10.00   3.42 113.34) =  99.991%  kept
        T HG    LEU   67 - QE    LYS+  66   7.92 +/- 1.71   2.097% *  0.3700% (0.38   1.0 10.00   0.02   9.87) =   0.008%
          HG    LEU   80 - HB2   ASP-  76   5.15 +/- 1.20   1.609% *  0.0133% (0.13   1.0  1.00   0.02   2.89) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.13 +/- 1.17   0.061% *  0.0932% (0.95   1.0  1.00   0.02   9.87) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.71 +/- 0.91   0.029% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.84 +/- 0.77   0.427% *  0.0036% (0.04   1.0  1.00   0.02   2.89) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.44 +/- 1.69   0.004% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.23 +/- 2.42   0.004% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.62 +/- 1.91   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.58 +/- 1.52   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.57 +/- 0.80   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.86 +/- 1.16   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.68 +/- 1.34   0.002% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.89 +/- 0.97   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.63 +/- 0.85   0.002% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.29 +/- 2.60   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.29 +/- 2.78   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  20.37 +/- 1.39   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.27 +/- 1.54   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.26 +/- 0.96   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.73 +/- 1.23   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.37 +/- 1.26   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.36 +/- 1.26   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  24.71 +/- 2.09   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 113.3:
    * O T QD    LYS+  66 - QE    LYS+  66   2.10 +/- 0.03  99.697% * 98.3437% (1.00  10.0 10.00   3.31 113.34) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  12.04 +/- 3.78   0.017% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   7.93 +/- 1.45   0.126% *  0.0714% (0.73   1.0  1.00   0.02  24.94) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   7.75 +/- 1.04   0.056% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   8.16 +/- 1.17   0.042% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.08 +/- 1.06   0.053% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  12.14 +/- 3.02   0.006% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  16.16 +/- 2.67   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  16.14 +/- 1.23   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.75 +/- 1.74   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.40 +/- 0.80   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  22.44 +/- 1.03   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.78 +/- 0.91   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  24.88 +/- 2.06   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.57 +/- 1.88   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.72 +/- 2.02   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.79 +/- 1.04   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  25.12 +/- 1.96   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.3:
    * O T HB2   PRO   68 - HA    PRO   68   2.65 +/- 0.17  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.27) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  16.05 +/- 1.87   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  26.65 +/- 1.77   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  19.29 +/- 1.46   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.3:
    * O T HA    PRO   68 - HB2   PRO   68   2.65 +/- 0.17 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.27) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  26.65 +/- 1.77   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.2:
    * O T HB2   ASN   69 - HA    ASN   69   2.55 +/- 0.14  99.960% * 99.7955% (1.00  10.0 10.00   3.63  61.20) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  11.06 +/- 1.26   0.023% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.19 +/- 2.34   0.016% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.48 +/- 0.89   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.42 +/- 0.88   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.2:
    * O T HB3   ASN   69 - HA    ASN   69   2.63 +/- 0.27  99.957% * 99.7714% (1.00  10.0 10.00   3.31  61.20) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69  10.26 +/- 0.88   0.038% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.89 +/- 0.92   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.39 +/- 1.51   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.2:
    * O T HA    ASN   69 - HB2   ASN   69   2.55 +/- 0.14  99.997% * 99.8126% (1.00  10.0 10.00   3.63  61.20) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.45 +/- 0.78   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  23.27 +/- 0.70   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.2:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.999% * 99.7714% (1.00  10.0 10.00   3.97  61.20) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.72 +/- 0.79   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.20 +/- 0.94   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.75 +/- 1.45   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.2:
    * O T HA    ASN   69 - HB3   ASN   69   2.63 +/- 0.27  99.997% * 99.8126% (1.00  10.0 10.00   3.31  61.20) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.61 +/- 0.78   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.51 +/- 0.82   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.2:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.996% * 99.7955% (1.00  10.0 10.00   3.97  61.20) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.31 +/- 1.67   0.003% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  13.12 +/- 2.46   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.03 +/- 0.96   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  28.96 +/- 0.71   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 82.1:
    * O T HB    VAL   70 - HA    VAL   70   2.88 +/- 0.25  99.109% * 97.2460% (1.00  10.0 10.00   4.31  82.09) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70   9.81 +/- 1.08   0.088% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   7.77 +/- 1.47   0.577% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.66 +/- 2.02   0.075% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  12.00 +/- 1.47   0.027% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  10.81 +/- 1.02   0.052% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  13.06 +/- 0.43   0.013% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.23 +/- 1.48   0.047% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.01 +/- 1.87   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  23.01 +/- 1.37   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.12 +/- 1.58   0.004% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  26.10 +/- 0.99   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.97 +/- 1.23   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  21.19 +/- 0.73   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.62 +/- 0.76   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.53 +/- 1.94   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  20.63 +/- 0.88   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.77 +/- 2.33   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  27.82 +/- 2.09   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.72 +/- 1.05   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  31.84 +/- 0.88   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.74, residual support = 80.8:
    * O T QG1   VAL   70 - HA    VAL   70   2.54 +/- 0.38  88.263% * 80.9732% (1.00  10.0 10.00   4.75  82.09) =  97.381%  kept
          QD1   LEU   71 - HA    VAL   70   4.55 +/- 1.07  11.583% * 16.5937% (0.92   1.0  1.00   4.44  31.46) =   2.619%  kept
        T QG1   VAL   18 - HA    VAL   70   9.48 +/- 1.03   0.054% *  0.7937% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   18 - HA    SER   48  11.70 +/- 1.42   0.017% *  0.1808% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  12.43 +/- 4.54   0.040% *  0.0747% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70  10.54 +/- 1.18   0.031% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.07 +/- 0.53   0.002% *  0.3846% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  12.39 +/- 0.80   0.008% *  0.0491% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  20.89 +/- 2.67   0.001% *  0.1703% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  22.32 +/- 1.31   0.000% *  0.3924% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.84 +/- 1.42   0.000% *  0.1845% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  19.75 +/- 1.57   0.001% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.90 +/- 1.49   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.78 +/- 1.53   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.47 +/- 2.16   0.000% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.74 +/- 2.09   0.000% *  0.0238% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  25.75 +/- 1.42   0.000% *  0.0222% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.51 +/- 0.85   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 82.1:
    * O T QG2   VAL   70 - HA    VAL   70   2.44 +/- 0.16  99.999% * 99.2926% (0.80  10.0 10.00   4.00  82.09) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  20.20 +/- 0.96   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  19.23 +/- 0.88   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 82.1:
    * O T HA    VAL   70 - HB    VAL   70   2.88 +/- 0.25  88.089% * 98.3567% (1.00  10.0 10.00   4.31  82.09) =  99.998%  kept
          HA    VAL   18 - QG    GLN   17   5.20 +/- 0.64   3.949% *  0.0125% (0.13   1.0  1.00   0.02  50.10) =   0.001%
          HA1   GLY   16 - HB    VAL   70   6.94 +/- 1.43   1.745% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    GLN   17   4.61 +/- 0.29   5.866% *  0.0036% (0.04   1.0  1.00   0.02  16.50) =   0.000%
        T HA    VAL   70 - QG    GLN   17   9.81 +/- 1.08   0.076% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.61 +/- 0.85   0.166% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.09 +/- 1.07   0.061% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  16.06 +/- 3.26   0.010% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.43 +/- 0.83   0.006% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.70 +/- 1.90   0.015% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.82 +/- 0.82   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  26.10 +/- 0.99   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.30 +/- 1.95   0.007% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.01 +/- 1.87   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.97 +/- 1.23   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  17.61 +/- 2.25   0.003% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  16.69 +/- 1.84   0.003% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.01 +/- 1.37   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 82.1:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.213% * 99.3444% (1.00  10.0 10.00   5.19  82.09) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   70   6.36 +/- 1.02   0.254% *  0.0917% (0.92   1.0  1.00   0.02  31.46) =   0.000%
          QD1   LEU  123 - HB    VAL   70  10.67 +/- 4.40   0.065% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   8.92 +/- 1.03   0.026% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.88 +/- 0.51   0.267% *  0.0181% (0.18   1.0  1.00   0.02  50.10) =   0.000%
          HB3   LEU   63 - HB    VAL   70   8.40 +/- 1.65   0.060% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.96 +/- 1.09   0.024% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   7.85 +/- 1.56   0.077% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.68 +/- 0.98   0.004% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.97 +/- 1.00   0.006% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.18 +/- 2.74   0.003% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.93 +/- 1.06   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 82.1:
    * O T QG2   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.973% * 99.8146% (0.80  10.0 10.00   4.31  82.09) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.61 +/- 0.71   0.027% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 82.1:
    * O T HA    VAL   70 - QG1   VAL   70   2.54 +/- 0.38  97.849% * 98.1637% (1.00  10.0 10.00   4.75  82.09) =  99.997%  kept
        T HA    VAL   18 - QG1   VAL   70   8.25 +/- 1.16   0.388% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QG1   VAL   70   6.63 +/- 1.24   1.526% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.13 +/- 1.28   0.207% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  13.51 +/- 2.70   0.014% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.08 +/- 0.94   0.012% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.18 +/- 0.89   0.003% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  22.32 +/- 1.31   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.84 +/- 1.42   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 82.1:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.926% * 98.7774% (1.00  10.0 10.00   5.19  82.09) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   8.92 +/- 1.03   0.027% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.34 +/- 2.01   0.028% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.74 +/- 0.63   0.006% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.96 +/- 1.20   0.012% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.14 +/- 1.01   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.86 +/- 0.98   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.75, residual support = 82.1:
    * O T QG2   VAL   70 - QG1   VAL   70   2.07 +/- 0.03 100.000% *100.0000% (0.80  10.0 10.00   4.75  82.09) = 100.000%  kept
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 82.1:
    * O T HA    VAL   70 - QG2   VAL   70   2.44 +/- 0.16  99.249% * 98.7631% (0.54  10.0 10.00   4.00  82.09) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   6.95 +/- 0.54   0.233% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   7.69 +/- 0.87   0.202% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.02 +/- 0.95   0.284% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.78 +/- 0.75   0.017% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  13.57 +/- 2.89   0.009% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.36 +/- 0.71   0.004% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  20.20 +/- 0.96   0.000% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  19.23 +/- 0.88   0.000% *  0.2463% (0.13   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 82.1:
    * O T HB    VAL   70 - QG2   VAL   70   2.13 +/- 0.01  99.910% * 98.7774% (0.54  10.0 10.00   4.31  82.09) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.61 +/- 0.71   0.027% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.89 +/- 0.64   0.020% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.84 +/- 1.43   0.029% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.63 +/- 0.66   0.013% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  17.16 +/- 0.67   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  15.94 +/- 0.82   0.001% *  0.0246% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.75, residual support = 82.1:
    * O T QG1   VAL   70 - QG2   VAL   70   2.07 +/- 0.03  98.470% * 99.6017% (0.54  10.0 10.00   4.75  82.09) =  99.999%  kept
          QD1   LEU   71 - QG2   VAL   70   4.76 +/- 0.68   1.248% *  0.0919% (0.50   1.0  1.00   0.02  31.46) =   0.001%
          QD1   LEU  123 - QG2   VAL   70   9.55 +/- 3.71   0.085% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.08 +/- 0.79   0.079% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   70   7.32 +/- 1.25   0.098% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.65 +/- 0.67   0.021% *  0.0604% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 140.2:
    * O T HB2   LEU   71 - HA    LEU   71   2.89 +/- 0.23  99.100% * 99.5520% (1.00  10.0 10.00   5.31 140.17) = 100.000%  kept
          HB    VAL   41 - HA    LEU   71   7.71 +/- 1.04   0.505% *  0.0340% (0.34   1.0  1.00   0.02   3.02) =   0.000%
          HB3   GLN   17 - HA    LEU   71   8.31 +/- 1.17   0.256% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.35 +/- 0.88   0.057% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.21 +/- 0.61   0.056% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.44 +/- 1.79   0.017% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.50 +/- 1.31   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.98 +/- 2.03   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 140.2:
    * O T HB3   LEU   71 - HA    LEU   71   2.59 +/- 0.16  99.994% * 99.6783% (1.00  10.0 10.00   4.31 140.17) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.13 +/- 0.97   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  22.47 +/- 2.76   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.55 +/- 1.63   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  22.79 +/- 3.04   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.73 +/- 2.37   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.13, residual support = 137.7:
    *   T QD1   LEU   71 - HA    LEU   71   3.47 +/- 0.53  87.235% * 82.0226% (1.00 10.00   4.12 140.17) =  97.699%  kept
          QG1   VAL   70 - HA    LEU   71   5.25 +/- 0.63   9.492% * 17.7303% (0.92  1.00   4.68  31.46) =   2.298%  kept
          QG1   VAL   18 - HA    LEU   71   6.70 +/- 0.78   2.837% *  0.0685% (0.84  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - HA    LEU   71  13.42 +/- 4.15   0.164% *  0.0820% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU   71  10.47 +/- 1.44   0.237% *  0.0280% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.56 +/- 1.56   0.035% *  0.0685% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 140.2:
    *   T QD2   LEU   71 - HA    LEU   71   2.24 +/- 0.49  95.257% * 99.6055% (1.00 10.00   5.00 140.17) =  99.998%  kept
          QD1   LEU   67 - HA    LEU   71   5.37 +/- 2.07   3.954% *  0.0447% (0.45  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    LEU   71   6.76 +/- 1.15   0.710% *  0.0409% (0.41  1.00   0.02   1.36) =   0.000%
          QG2   ILE  119 - HA    LEU   71  12.66 +/- 3.40   0.060% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.89 +/- 1.00   0.009% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.46 +/- 1.06   0.004% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.27 +/- 1.19   0.006% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 140.2:
    * O T HA    LEU   71 - HB2   LEU   71   2.89 +/- 0.23  99.822% * 99.9402% (1.00  10.0 10.00   5.31 140.17) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.90 +/- 0.73   0.154% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.99 +/- 0.77   0.024% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 140.2:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 140.17) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.20 +/- 1.04   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.94 +/- 3.36   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  18.32 +/- 1.24   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.05 +/- 3.53   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.52 +/- 2.58   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 140.2:
    * O T QD1   LEU   71 - HB2   LEU   71   2.26 +/- 0.11  99.454% * 99.6081% (1.00  10.0 10.00   4.97 140.17) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   71   5.81 +/- 0.42   0.418% *  0.0919% (0.92   1.0  1.00   0.02  31.46) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   8.08 +/- 0.90   0.069% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  14.51 +/- 4.74   0.038% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  13.85 +/- 1.94   0.006% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.98 +/- 2.06   0.016% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 140.2:
    * O T QD2   LEU   71 - HB2   LEU   71   3.21 +/- 0.01  90.779% * 99.6055% (1.00  10.0 10.00   5.44 140.17) =  99.995%  kept
          QD1   LEU   67 - HB2   LEU   71   6.96 +/- 1.96   6.450% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HB2   LEU   71   6.27 +/- 1.02   2.465% *  0.0409% (0.41   1.0  1.00   0.02   1.36) =   0.001%
          QG2   ILE  119 - HB2   LEU   71  13.85 +/- 4.04   0.225% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  12.54 +/- 1.33   0.030% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.54 +/- 1.45   0.030% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.19 +/- 0.97   0.022% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 140.2:
    * O T HA    LEU   71 - HB3   LEU   71   2.59 +/- 0.16  99.888% * 99.9402% (1.00  10.0 10.00   4.31 140.17) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.58 +/- 0.83   0.092% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  10.97 +/- 1.26   0.020% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 140.2:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.906% * 99.3538% (1.00  10.0 10.00   4.97 140.17) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.75 +/- 1.64   0.084% *  0.0339% (0.34   1.0  1.00   0.02   3.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71   9.91 +/- 1.45   0.006% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.92 +/- 1.64   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.15 +/- 1.16   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.86 +/- 1.79   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.92 +/- 1.25   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.58 +/- 2.36   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 140.2:
    * O T QD1   LEU   71 - HB3   LEU   71   2.74 +/- 0.37  97.787% * 99.6081% (1.00  10.0 10.00   3.80 140.17) =  99.998%  kept
          QG1   VAL   70 - HB3   LEU   71   6.44 +/- 0.59   1.041% *  0.0919% (0.92   1.0  1.00   0.02  31.46) =   0.001%
          QD1   LEU  123 - HB3   LEU   71  14.71 +/- 4.51   0.497% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB3   LEU   71   7.39 +/- 1.03   0.405% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.99 +/- 2.23   0.261% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  14.69 +/- 1.99   0.009% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 140.2:
    * O T QD2   LEU   71 - HB3   LEU   71   2.36 +/- 0.09  98.070% * 99.6055% (1.00  10.0 10.00   4.44 140.17) =  99.999%  kept
          QD1   LEU   67 - HB3   LEU   71   7.07 +/- 2.06   1.437% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB3   LEU   71  13.90 +/- 3.89   0.175% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB3   LEU   71   6.95 +/- 1.10   0.301% *  0.0409% (0.41   1.0  1.00   0.02   1.36) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.96 +/- 1.32   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  12.30 +/- 1.06   0.006% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.05 +/- 1.48   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 140.2:
    *   T HA    LEU   71 - QD1   LEU   71   3.47 +/- 0.53  99.209% * 99.9402% (1.00 10.00   4.12 140.17) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   8.86 +/- 0.88   0.568% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71  10.51 +/- 1.20   0.223% *  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 = 140.2:
    * O T HB2   LEU   71 - QD1   LEU   71   2.26 +/- 0.11  99.487% * 99.5520% (1.00  10.0 10.00   4.97 140.17) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   6.47 +/- 1.11   0.423% *  0.0340% (0.34   1.0  1.00   0.02   3.02) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   9.12 +/- 1.10   0.032% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.74 +/- 1.85   0.015% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.66 +/- 1.55   0.019% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.00 +/- 1.19   0.009% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.40 +/- 1.53   0.014% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.89 +/- 2.01   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 140.2:
    * O T HB3   LEU   71 - QD1   LEU   71   2.74 +/- 0.37  99.979% * 99.6783% (1.00  10.0 10.00   3.80 140.17) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  13.12 +/- 1.20   0.013% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.32 +/- 3.00   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  16.71 +/- 1.79   0.004% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.51 +/- 3.09   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.98 +/- 2.47   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.05 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 = 4.24, residual support = 140.2:
    * O T QD2   LEU   71 - QD1   LEU   71   2.05 +/- 0.07  99.143% * 99.6055% (1.00  10.0 10.00   4.24 140.17) = 100.000%  kept
          QD1   LEU   67 - QD1   LEU   71   6.57 +/- 1.68   0.456% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   LEU   71   6.39 +/- 1.09   0.355% *  0.0409% (0.41   1.0  1.00   0.02   1.36) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.62 +/- 3.36   0.023% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.63 +/- 1.58   0.014% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.56 +/- 1.27   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.92 +/- 1.02   0.003% *  0.0684% (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 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 140.2:
    *   T HA    LEU   71 - QD2   LEU   71   2.24 +/- 0.49  99.554% * 99.9402% (1.00 10.00   5.00 140.17) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.30 +/- 1.09   0.347% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.14 +/- 1.04   0.098% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 140.2:
    * O T HB2   LEU   71 - QD2   LEU   71   3.21 +/- 0.01  96.420% * 99.3538% (1.00  10.0 10.00   5.44 140.17) =  99.998%  kept
          HB3   GLN   17 - QD2   LEU   71   7.29 +/- 1.30   1.148% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD2   LEU   71   7.15 +/- 1.33   1.735% *  0.0339% (0.34   1.0  1.00   0.02   3.02) =   0.001%
          QB    LYS+  66 - QD2   LEU   71   9.88 +/- 1.24   0.411% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU   71   9.68 +/- 1.08   0.182% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.14 +/- 1.61   0.047% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.86 +/- 1.82   0.051% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.12 +/- 2.17   0.005% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 140.2:
    * O T HB3   LEU   71 - QD2   LEU   71   2.36 +/- 0.09  99.991% * 99.2790% (1.00  10.0 10.00   4.44 140.17) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.86 +/- 1.25   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.42 +/- 2.46   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  20.34 +/- 2.87   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.43 +/- 2.20   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  20.69 +/- 2.87   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 140.2:
    * O T QD1   LEU   71 - QD2   LEU   71   2.05 +/- 0.07  99.499% * 99.6081% (1.00  10.0 10.00   4.24 140.17) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.76 +/- 0.59   0.261% *  0.0919% (0.92   1.0  1.00   0.02  31.46) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.31 +/- 0.54   0.130% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.59 +/- 3.65   0.050% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71  10.45 +/- 1.86   0.053% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.64 +/- 1.90   0.007% *  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 = 4.06, residual support = 90.3:
    * O T HB2   PHE   72 - HA    PHE   72   2.80 +/- 0.22  98.844% * 99.8683% (0.64  10.0 10.00   4.06  90.31) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   6.14 +/- 0.51   1.130% *  0.0868% (0.55   1.0  1.00   0.02  39.44) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.27 +/- 0.63   0.026% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.61, residual support = 90.3:
    * O T HB3   PHE   72 - HA    PHE   72   2.87 +/- 0.25  98.697% * 99.4196% (0.66  10.0 10.00   4.61  90.31) =  99.999%  kept
          HB2   ASP-  44 - HA    PHE   72   6.47 +/- 0.77   1.026% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    PHE   72   8.66 +/- 1.04   0.208% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  12.25 +/- 1.13   0.027% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  13.14 +/- 2.87   0.027% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  16.96 +/- 1.22   0.003% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.73 +/- 1.10   0.010% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.70 +/- 1.54   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.06, residual support = 90.3:
    * O T HA    PHE   72 - HB2   PHE   72   2.80 +/- 0.22 100.000% *100.0000% (0.64  10.0 10.00   4.06  90.31) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.24, residual support = 90.3:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.813% * 99.4196% (0.72  10.0 10.00   4.24  90.31) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   5.90 +/- 1.16   0.169% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.34 +/- 1.35   0.014% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  11.39 +/- 1.03   0.002% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.76 +/- 2.10   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.29 +/- 1.93   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.15 +/- 1.58   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.74 +/- 0.89   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.61, residual support = 90.3:
    * O T HA    PHE   72 - HB3   PHE   72   2.87 +/- 0.25 100.000% *100.0000% (0.66  10.0 10.00   4.61  90.31) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 4.24, residual support = 90.3:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.574% * 99.8683% (0.72  10.0 10.00   4.24  90.31) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.69 +/- 0.61   0.424% *  0.0868% (0.63   1.0  1.00   0.02  39.44) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.50 +/- 0.89   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 168.6:
    * O T HB2   LEU   73 - HA    LEU   73   2.53 +/- 0.25  99.976% * 99.4108% (1.00  10.0 10.00   5.00 168.62) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  14.38 +/- 1.03   0.004% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  14.80 +/- 1.49   0.004% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  16.34 +/- 1.88   0.003% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.78 +/- 1.08   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  16.68 +/- 1.22   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.50 +/- 0.86   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  16.95 +/- 1.72   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.80 +/- 3.48   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.67 +/- 2.04   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 168.6:
    * O T HB3   LEU   73 - HA    LEU   73   2.71 +/- 0.36  93.906% * 99.1728% (1.00  10.0 10.00   5.12 168.62) =  99.998%  kept
          HB3   LYS+  74 - HA    LEU   73   4.69 +/- 0.39   5.178% *  0.0174% (0.18   1.0  1.00   0.02  39.10) =   0.001%
          HB    VAL   42 - HA    LEU   73   6.84 +/- 1.04   0.746% *  0.0983% (0.99   1.0  1.00   0.02   1.12) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  10.39 +/- 1.02   0.045% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73   9.85 +/- 0.87   0.054% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.88 +/- 1.54   0.014% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.37 +/- 1.01   0.022% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  12.02 +/- 1.22   0.016% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  15.30 +/- 1.22   0.004% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.37 +/- 1.57   0.004% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.32 +/- 1.58   0.006% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  18.49 +/- 1.41   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  21.92 +/- 2.54   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.23 +/- 3.68   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.49 +/- 3.56   0.002% *  0.0174% (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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 168.6:
    *   T QD1   LEU   73 - HA    LEU   73   3.79 +/- 0.22  96.935% * 98.2281% (1.00 10.00   5.00 168.62) =  99.989%  kept
        T QD1   LEU   63 - HA    LEU   73   9.48 +/- 1.57   0.921% *  0.9823% (1.00 10.00   0.02   0.02) =   0.010%
          QD2   LEU   80 - HA    LEU   73   8.08 +/- 0.73   1.169% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  13.31 +/- 1.05   0.063% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73   9.98 +/- 1.79   0.594% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  14.42 +/- 2.50   0.073% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.71 +/- 1.25   0.245% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 168.6:
    *   T QD2   LEU   73 - HA    LEU   73   2.33 +/- 0.58  97.229% * 99.4036% (1.00 10.00   6.21 168.62) =  99.999%  kept
          QG1   VAL   43 - HA    LEU   73   5.42 +/- 1.13   2.360% *  0.0276% (0.28  1.00   0.02   9.17) =   0.001%
          QG1   VAL   41 - HA    LEU   73   6.67 +/- 0.98   0.351% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.09 +/- 1.09   0.048% *  0.0959% (0.97  1.00   0.02   3.26) =   0.000%
          QD1   ILE   56 - HA    LEU   73  12.96 +/- 1.50   0.012% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.89 +/- 3.49   0.001% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 168.6:
    * O T HA    LEU   73 - HB2   LEU   73   2.53 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   5.00 168.62) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 168.6:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.860% * 95.5463% (1.00  10.0 10.00   5.12 168.62) = 100.000%  kept
        T HG3   LYS+  33 - HB2   LEU   73   9.82 +/- 1.46   0.004% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   LEU   73   7.42 +/- 1.02   0.034% *  0.0947% (0.99   1.0  1.00   0.02   1.12) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.75 +/- 0.36   0.086% *  0.0167% (0.18   1.0  1.00   0.02  39.10) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.58 +/- 1.52   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.03 +/- 1.39   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73   8.85 +/- 0.92   0.007% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  14.56 +/- 1.96   0.001% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  17.27 +/- 1.34   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  10.90 +/- 1.17   0.003% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.24 +/- 1.09   0.003% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.60 +/- 1.82   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.58 +/- 2.94   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.56 +/- 3.90   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.41 +/- 3.66   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 168.6:
    * O T QD1   LEU   73 - HB2   LEU   73   2.53 +/- 0.39  99.039% * 98.2281% (1.00  10.0 10.00   5.00 168.62) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   6.83 +/- 1.05   0.769% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB2   LEU   73  10.36 +/- 1.88   0.050% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB2   LEU   73  13.00 +/- 0.97   0.008% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.02 +/- 2.00   0.032% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   9.19 +/- 1.85   0.098% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  15.09 +/- 2.92   0.005% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 6.18, residual support = 167.2:
    * O T QD2   LEU   73 - HB2   LEU   73   2.72 +/- 0.26  80.913% * 94.8432% (1.00  10.0 10.00   6.21 168.62) =  99.119%  kept
          QG1   VAL   43 - HB2   LEU   73   4.20 +/- 1.28  17.697% *  3.8487% (0.28   1.0  1.00   2.92   9.17) =   0.880%  kept
          QG1   VAL   41 - HB2   LEU   73   6.18 +/- 1.12   1.036% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LEU   73   7.15 +/- 1.69   0.346% *  0.0915% (0.97   1.0  1.00   0.02   3.26) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.68 +/- 1.83   0.007% *  0.8506% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  20.17 +/- 3.70   0.001% *  0.3235% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.12, residual support = 168.6:
    * O T HA    LEU   73 - HB3   LEU   73   2.71 +/- 0.36 100.000% *100.0000% (1.00  10.0 10.00   5.12 168.62) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 168.6:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 98.2609% (1.00  10.0 10.00   5.12 168.62) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  15.29 +/- 1.59   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  13.53 +/- 2.21   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  13.55 +/- 1.19   0.001% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  22.39 +/- 2.25   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.54 +/- 1.57   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.34 +/- 1.41   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  13.36 +/- 1.11   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.38 +/- 1.69   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.33 +/- 3.84   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 168.6:
    * O T QD1   LEU   73 - HB3   LEU   73   2.29 +/- 0.21  99.737% * 97.5376% (1.00  10.0 10.00   5.07 168.62) =  99.998%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.13 +/- 0.81   0.140% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   73   9.98 +/- 1.75   0.045% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.41 +/- 1.07   0.005% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.61 +/- 1.95   0.021% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   9.27 +/- 1.76   0.047% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.80 +/- 2.84   0.005% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 6.03, residual support = 161.7:
    * O T QD2   LEU   73 - HB3   LEU   73   3.05 +/- 0.25  53.879% * 94.2795% (1.00  10.0 10.00   6.28 168.62) =  95.656%  kept
        T QG1   VAL   43 - HB3   LEU   73   3.70 +/- 1.68  44.510% *  5.1811% (0.28   1.0 10.00   0.40   9.17) =   4.343%  kept
          QG1   VAL   41 - HB3   LEU   73   5.84 +/- 0.97   1.180% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LEU   73   7.01 +/- 1.51   0.420% *  0.0910% (0.97   1.0  1.00   0.02   3.26) =   0.001%
          QD1   ILE   56 - HB3   LEU   73  13.49 +/- 1.71   0.010% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.57 +/- 4.12   0.002% *  0.3216% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 168.6:
    *   T HA    LEU   73 - QD1   LEU   73   3.79 +/- 0.22  98.985% * 98.7705% (1.00 10.00   5.00 168.62) =  99.990%  kept
        T HA    LEU   73 - QD1   LEU   63   9.48 +/- 1.57   0.950% *  0.9877% (1.00 10.00   0.02   0.02) =   0.010%
        T HA    LEU   73 - QD1   LEU  104  13.31 +/- 1.05   0.065% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.948, support = 4.8, residual support = 159.6:
    * O T HB2   LEU   73 - QD1   LEU   73   2.53 +/- 0.39  31.668% * 91.8548% (1.00  10.0 10.00   5.00 168.62) =  94.070%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.62 +/- 0.53  27.392% *  3.9253% (0.05   1.0 10.00   1.57  16.52) =   3.477%  kept
          QD    LYS+  99 - QD1   LEU  104   2.61 +/- 0.88  40.319% *  1.8802% (0.23   1.0  1.00   1.81  16.52) =   2.451%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.36 +/- 1.88   0.012% *  0.9185% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   63   5.68 +/- 0.86   0.296% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.30 +/- 2.95   0.067% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.54 +/- 1.94   0.021% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   9.26 +/- 1.50   0.016% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   7.00 +/- 1.14   0.109% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.21 +/- 1.17   0.011% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.75 +/- 1.59   0.012% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.00 +/- 0.67   0.031% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.38 +/- 1.73   0.005% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.51 +/- 1.68   0.004% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  11.11 +/- 1.40   0.004% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  13.00 +/- 0.97   0.001% *  0.2248% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.13 +/- 1.91   0.007% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.00 +/- 0.87   0.008% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  11.68 +/- 1.23   0.003% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.13 +/- 2.01   0.001% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.24 +/- 1.53   0.001% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.49 +/- 1.44   0.003% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  13.04 +/- 4.64   0.003% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.47 +/- 1.28   0.001% *  0.0378% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.02 +/- 3.75   0.000% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.58 +/- 2.24   0.000% *  0.0824% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.33 +/- 1.86   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  14.23 +/- 1.31   0.001% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.56 +/- 1.05   0.000% *  0.0217% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.58 +/- 1.28   0.000% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 168.6:
    * O T HB3   LEU   73 - QD1   LEU   73   2.29 +/- 0.21  93.417% * 96.9771% (1.00  10.0 10.00   5.07 168.62) =  99.997%  kept
          HB    VAL   42 - QD1   LEU   73   5.79 +/- 1.03   0.771% *  0.0961% (0.99   1.0  1.00   0.02   1.12) =   0.001%
          HB    VAL   42 - QD1   LEU   63   5.98 +/- 1.33   0.689% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63   9.98 +/- 1.75   0.041% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   6.56 +/- 1.79   0.411% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.02 +/- 1.44   1.090% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   5.93 +/- 0.88   0.489% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.62 +/- 0.71   0.892% *  0.0089% (0.09   1.0  1.00   0.02   6.13) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.20 +/- 1.87   0.059% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.61 +/- 0.69   0.040% *  0.0961% (0.99   1.0  1.00   0.02   1.31) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.20 +/- 1.67   0.104% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.80 +/- 2.70   0.229% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.15 +/- 0.89   0.137% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.40 +/- 1.62   0.036% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   9.00 +/- 4.94   0.707% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.42 +/- 0.60   0.113% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.66 +/- 1.03   0.392% *  0.0059% (0.06   1.0  1.00   0.02   6.13) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.98 +/- 0.31   0.136% *  0.0170% (0.18   1.0  1.00   0.02  39.10) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.23 +/- 1.52   0.083% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.41 +/- 1.07   0.005% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.61 +/- 1.43   0.010% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.89 +/- 1.11   0.018% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.46 +/- 2.00   0.016% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.07 +/- 0.80   0.015% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  12.64 +/- 1.07   0.004% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.91 +/- 2.40   0.020% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.83 +/- 1.52   0.014% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.24 +/- 1.73   0.019% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.41 +/- 1.42   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.62 +/- 1.61   0.003% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.90 +/- 1.56   0.004% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.62 +/- 2.85   0.001% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.92 +/- 1.20   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  16.11 +/- 1.13   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  12.06 +/- 4.62   0.017% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.10 +/- 1.34   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.99 +/- 1.02   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.88 +/- 3.88   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.17 +/- 2.15   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.63 +/- 3.67   0.002% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.63 +/- 1.75   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.46 +/- 1.04   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.17 +/- 1.05   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.53 +/- 1.56   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.21 +/- 0.99   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 168.4:
    * O T QD2   LEU   73 - QD1   LEU   73   2.01 +/- 0.07  65.819% * 96.6209% (1.00  10.0 10.00   6.21 168.62) =  99.866%  kept
        T QG1   VAL   41 - QD1   LEU   73   3.28 +/- 1.43  16.159% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.110%
        T QD2   LEU   73 - QD1   LEU   63   8.18 +/- 1.80   0.900% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL   43 - QD1   LEU   73   3.10 +/- 0.99  13.990% *  0.0269% (0.28   1.0  1.00   0.02   9.17) =   0.006%
          HG    LEU   31 - QD1   LEU   73   4.45 +/- 2.02   2.352% *  0.0932% (0.97   1.0  1.00   0.02   3.26) =   0.003%
          QD1   ILE   56 - QD1   LEU   63   5.51 +/- 1.11   0.482% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - QD1   LEU   63   9.40 +/- 2.67   0.050% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   8.73 +/- 5.07   0.106% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   7.58 +/- 1.18   0.069% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.73 +/- 1.04   0.006% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  10.03 +/- 1.11   0.007% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.04 +/- 1.38   0.026% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.37 +/- 1.75   0.004% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.31 +/- 3.75   0.001% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.25 +/- 1.07   0.026% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.10 +/- 1.59   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.06 +/- 1.29   0.002% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.50 +/- 1.14   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 168.6:
    *   T HA    LEU   73 - QD2   LEU   73   2.33 +/- 0.58  99.999% * 99.6602% (1.00 10.00   6.21 168.62) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.89 +/- 3.49   0.001% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 168.6:
    * O T HB2   LEU   73 - QD2   LEU   73   2.72 +/- 0.26  99.439% * 98.3218% (1.00  10.0 10.00   6.21 168.62) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.08 +/- 0.45   0.166% *  0.2169% (0.22   1.0 10.00   0.02   2.19) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  12.40 +/- 1.73   0.034% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.61 +/- 1.08   0.036% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121  11.85 +/- 5.71   0.088% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121  10.36 +/- 2.96   0.083% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.08 +/- 1.28   0.017% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.19 +/- 1.46   0.013% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.61 +/- 0.97   0.036% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.88 +/- 1.63   0.014% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.85 +/- 2.23   0.008% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.14 +/- 1.53   0.005% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  20.17 +/- 3.70   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  13.00 +/- 5.86   0.037% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.22 +/- 3.28   0.003% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  15.70 +/- 5.44   0.011% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.68 +/- 1.76   0.004% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.40 +/- 2.64   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.87 +/- 2.77   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.68 +/- 2.38   0.001% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.897, support = 6.23, residual support = 183.6:
    * O T HB3   LEU   73 - QD2   LEU   73   3.05 +/- 0.25  29.600% * 89.5680% (1.00  10.0 10.00   6.28 168.62) =  89.135%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.63 +/- 0.28  66.710% *  4.7126% (0.05  10.0 10.00   5.98 314.63) =  10.569%  kept
          HB    VAL   42 - QD2   LEU   73   5.20 +/- 0.95   1.989% *  4.3812% (0.99   1.0  1.00   0.99   1.12) =   0.293%
          HG3   LYS+  33 - QD2   LEU   73   7.03 +/- 1.83   0.376% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD2   LEU   73   7.02 +/- 1.30   0.420% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   5.85 +/- 0.33   0.577% *  0.0157% (0.18   1.0  1.00   0.02  39.10) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.26 +/- 1.40   0.155% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.55 +/- 1.07   0.012% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121  10.77 +/- 3.91   0.029% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  10.91 +/- 1.31   0.025% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.35 +/- 1.20   0.008% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  13.09 +/- 2.14   0.016% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.54 +/- 1.58   0.008% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  13.95 +/- 1.45   0.005% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.68 +/- 3.15   0.003% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.57 +/- 4.12   0.001% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.79 +/- 3.96   0.007% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.75 +/- 0.71   0.033% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.01 +/- 3.05   0.002% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  17.26 +/- 6.01   0.004% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  13.72 +/- 4.72   0.009% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.89 +/- 3.32   0.004% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.89 +/- 1.05   0.002% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  14.99 +/- 4.85   0.005% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  19.06 +/- 2.30   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.72 +/- 2.34   0.002% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  24.59 +/- 4.35   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  20.42 +/- 2.24   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.98 +/- 3.20   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.77 +/- 2.65   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 168.6:
    * O T QD1   LEU   73 - QD2   LEU   73   2.01 +/- 0.07  98.655% * 97.3141% (1.00  10.0 10.00   6.21 168.62) =  99.990%  kept
        T QD1   LEU   63 - QD2   LEU   73   8.18 +/- 1.80   0.904% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - HG3   LYS+ 121   8.73 +/- 5.07   0.133% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   9.40 +/- 2.67   0.066% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  10.03 +/- 1.11   0.009% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.41 +/- 0.96   0.058% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.41 +/- 1.77   0.056% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   9.22 +/- 2.90   0.088% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.57 +/- 2.60   0.009% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.31 +/- 3.75   0.001% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.32 +/- 1.18   0.014% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121  10.00 +/- 0.56   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.21 +/- 2.31   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  21.49 +/- 2.80   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.3:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.61 +/- 0.15  99.800% * 99.4757% (0.64  10.0 10.00   6.31 187.34) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   7.74 +/- 0.45   0.159% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  13.03 +/- 1.62   0.010% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.05 +/- 0.56   0.004% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.13 +/- 2.56   0.004% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  12.88 +/- 1.29   0.009% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.29 +/- 1.21   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  16.86 +/- 1.46   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.50 +/- 1.38   0.004% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.33 +/- 2.71   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.3:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.58 +/- 0.35  99.573% * 99.1206% (0.80  10.0 10.00   6.28 187.34) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.07 +/- 0.31   0.139% *  0.0915% (0.74   1.0  1.00   0.02   8.65) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  10.85 +/- 2.13   0.186% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.87 +/- 1.02   0.016% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  10.21 +/- 1.58   0.058% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  12.17 +/- 1.02   0.013% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.56 +/- 0.70   0.012% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  18.46 +/- 2.23   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.82 +/- 0.71   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.39 +/- 0.86   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.784, support = 5.56, residual support = 182.7:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.60 +/- 0.12  71.541% * 92.2594% (0.80  10.0 10.00   5.57 187.34) =  97.022%  kept
          HB    VAL   75 - HA    LYS+  74   4.25 +/- 0.25  27.619% *  7.3320% (0.25   1.0  1.00   5.15  32.05) =   2.977%  kept
          QD2   LEU   71 - HA    LYS+  74   9.28 +/- 0.87   0.323% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  10.19 +/- 1.67   0.239% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  10.49 +/- 0.76   0.128% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  12.87 +/- 0.82   0.037% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.26 +/- 1.61   0.063% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  13.16 +/- 2.13   0.049% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.41 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.3:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.61 +/- 0.68  99.822% * 99.2156% (0.80 10.00   5.91 187.34) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.99 +/- 1.64   0.081% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  10.53 +/- 0.68   0.056% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.98 +/- 1.32   0.019% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  12.99 +/- 1.34   0.017% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.28 +/- 0.59   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  20.05 +/- 2.19   0.002% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.96 +/- 2.42   0.002% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.30 +/- 2.83   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.15 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.3:
    *   T QE    LYS+  74 - HA    LYS+  74   2.85 +/- 0.56  98.340% * 99.7560% (0.80 10.00   4.93 187.34) =  99.999%  kept
          HB2   PHE   72 - HA    LYS+  74   6.28 +/- 0.76   1.569% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.99 +/- 1.29   0.057% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.84 +/- 0.61   0.031% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.70 +/- 0.54   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 2 structures by 0.29 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.3:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.61 +/- 0.15  99.982% * 99.8966% (0.64  10.0 10.00   6.31 187.34) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.17 +/- 0.60   0.011% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  13.43 +/- 1.38   0.007% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.3:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.04  98.737% * 99.1206% (0.80  10.0 10.00   5.85 187.34) =  99.999%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.14 +/- 0.78   0.689% *  0.0915% (0.74   1.0  1.00   0.02   8.65) =   0.001%
          HG12  ILE   89 - HB2   LYS+  74  12.90 +/- 2.68   0.423% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.92 +/- 1.19   0.035% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.73 +/- 1.58   0.076% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.92 +/- 1.14   0.019% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  13.47 +/- 1.28   0.017% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  19.87 +/- 2.27   0.002% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.25 +/- 0.97   0.002% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  21.36 +/- 0.78   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.3:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.63 +/- 0.13  99.224% * 97.9320% (0.80  10.0 10.00   5.27 187.34) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  10.24 +/- 1.94   0.070% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  74   6.34 +/- 0.41   0.603% *  0.0302% (0.25   1.0  1.00   0.02  32.05) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  11.67 +/- 0.82   0.015% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.08 +/- 0.92   0.071% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  13.53 +/- 2.22   0.009% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  14.73 +/- 0.70   0.003% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.20 +/- 1.47   0.005% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.3:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.45 +/- 0.39  99.870% * 97.4681% (0.80  10.0 10.00   6.31 187.34) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  11.90 +/- 1.34   0.015% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74   9.59 +/- 1.43   0.094% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.17 +/- 2.51   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.06 +/- 0.98   0.011% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  12.98 +/- 1.57   0.008% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  21.55 +/- 2.23   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.20 +/- 0.93   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.76 +/- 3.10   0.000% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.3:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.90 +/- 0.64  97.583% * 99.7560% (0.80 10.00   4.62 187.34) =  99.999%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.31 +/- 0.99   2.287% *  0.0308% (0.25  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HB2   LYS+  74  10.84 +/- 1.54   0.085% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.03 +/- 1.01   0.041% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.73 +/- 1.05   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.3:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.58 +/- 0.35  98.775% * 99.7790% (0.80  10.0 10.00   6.28 187.34) = 100.000%  kept
          HA    THR   94 - HG3   LYS+ 111   9.81 +/- 2.17   1.134% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG2   LYS+  74  10.77 +/- 0.94   0.022% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  11.49 +/- 1.74   0.025% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  18.46 +/- 2.23   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.64 +/- 2.63   0.043% *  0.0030% (0.02   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 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.3:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.04  98.796% * 99.3145% (0.80  10.0 10.00   5.85 187.34) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   8.21 +/- 0.69   0.292% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.25 +/- 0.87   0.318% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  13.09 +/- 2.20   0.030% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.97 +/- 1.36   0.473% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.32 +/- 2.04   0.008% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.98 +/- 1.26   0.005% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  14.02 +/- 2.01   0.016% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.49 +/- 1.44   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.27 +/- 0.82   0.026% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  19.87 +/- 2.27   0.002% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.74 +/- 1.35   0.009% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.28 +/- 1.44   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.48 +/- 2.66   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  15.42 +/- 1.89   0.008% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.92 +/- 2.40   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.12 +/- 2.07   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  22.69 +/- 1.95   0.001% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.19 +/- 2.98   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.52 +/- 2.73   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.21 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.813% * 99.3075% (1.00  10.0 10.00   4.54 187.34) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.33 +/- 0.70   0.175% *  0.0307% (0.31   1.0  1.00   0.02  32.05) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.17 +/- 2.30   0.005% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.54 +/- 1.05   0.003% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.19 +/- 1.22   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.40 +/- 1.19   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  13.81 +/- 1.77   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.64 +/- 1.77   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  19.27 +/- 2.26   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.32 +/- 1.88   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.54 +/- 1.09   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.42 +/- 2.46   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.33 +/- 2.58   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.63 +/- 1.99   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.19 +/- 2.05   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.30 +/- 2.23   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.937, support = 5.53, residual support = 196.2:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.80 +/- 0.20  54.428% * 89.4618% (1.00  10.0 10.00   5.54 187.34) =  93.065%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.88 +/- 0.14  45.434% *  7.9861% (0.09  10.0 10.00   5.40 315.54) =   6.935%  kept
          QB    ALA   57 - HG2   LYS+  74   9.09 +/- 1.38   0.086% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.92 +/- 1.92   0.012% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.34 +/- 1.33   0.004% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.03 +/- 0.96   0.016% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.30 +/- 2.24   0.001% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  17.94 +/- 2.54   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.17 +/- 2.21   0.013% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.12 +/- 0.98   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.04 +/- 2.04   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.96 +/- 1.85   0.001% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.98 +/- 1.48   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.07 +/- 2.47   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.73 +/- 2.32   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.29 +/- 1.17   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.04 +/- 2.30   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.94 +/- 2.40   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.79 +/- 0.67  99.115% * 99.6238% (1.00  10.0 10.00   4.54 187.34) = 100.000%  kept
          QB    CYS   50 - HG2   LYS+  74   9.52 +/- 1.43   0.187% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG2   LYS+  74   7.61 +/- 1.34   0.554% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.50 +/- 1.52   0.111% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  15.09 +/- 1.87   0.010% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.30 +/- 1.90   0.017% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.20 +/- 1.31   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.01 +/- 2.59   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.75 +/- 2.64   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.22 +/- 2.43   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.3:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.60 +/- 0.12  99.823% * 99.8966% (0.80  10.0 10.00   5.57 187.34) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  11.94 +/- 0.88   0.083% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  12.34 +/- 1.70   0.094% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.3:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.63 +/- 0.13  99.848% * 98.5261% (0.80  10.0 10.00   5.27 187.34) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   8.43 +/- 0.64   0.110% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.66 +/- 1.99   0.003% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  12.26 +/- 2.02   0.020% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.01 +/- 1.48   0.003% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  13.95 +/- 2.00   0.009% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.60 +/- 1.11   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  17.75 +/- 1.40   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.10 +/- 1.23   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.10 +/- 2.58   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.916% * 99.1206% (1.00  10.0 10.00   4.54 187.34) = 100.000%  kept
          HG12  ILE   89 - HG3   LYS+  74  12.88 +/- 2.90   0.069% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   LYS+  74   8.71 +/- 0.77   0.008% *  0.0915% (0.92   1.0  1.00   0.02   8.65) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.99 +/- 1.60   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  12.87 +/- 1.66   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.67 +/- 1.40   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  19.27 +/- 2.26   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.33 +/- 0.86   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.74 +/- 1.16   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.13 +/- 0.93   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.90 +/- 0.14  99.606% * 99.2156% (1.00  10.0 10.00   4.97 187.34) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   8.59 +/- 1.32   0.324% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  12.08 +/- 1.85   0.039% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.30 +/- 1.07   0.020% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  14.56 +/- 1.36   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  21.75 +/- 0.90   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.62 +/- 1.99   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.05 +/- 2.26   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.15 +/- 2.49   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.3:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.88 +/- 0.38  99.088% * 99.7560% (1.00  10.0 10.00   4.00 187.34) = 100.000%  kept
          HB2   PHE   72 - HG3   LYS+  74   7.67 +/- 1.12   0.658% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+  74   9.34 +/- 1.51   0.194% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.92 +/- 1.39   0.059% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.18 +/- 1.18   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.3:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.61 +/- 0.68  99.932% * 99.6012% (0.80 10.00   5.91 187.34) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  10.45 +/- 1.18   0.037% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  11.68 +/- 1.51   0.028% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.28 +/- 0.59   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.31 +/- 1.06   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.04 +/- 0.86   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.3:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.45 +/- 0.39  99.790% * 98.0482% (0.80  10.0 10.00   6.31 187.34) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.84 +/- 1.93   0.014% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   8.96 +/- 0.57   0.060% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.92 +/- 0.86   0.058% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.47 +/- 2.58   0.002% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  14.26 +/- 2.44   0.007% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.26 +/- 0.89   0.003% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  13.02 +/- 1.49   0.008% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.67 +/- 1.23   0.037% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  16.42 +/- 1.48   0.002% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  13.70 +/- 1.30   0.006% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  19.33 +/- 5.12   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.61 +/- 1.50   0.005% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.20 +/- 0.93   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.45 +/- 1.48   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.70 +/- 0.55   0.002% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  19.29 +/- 3.66   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.41 +/- 1.37   0.002% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.99 +/- 3.09   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  24.40 +/- 2.28   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 0.21 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.827, support = 5.52, residual support = 193.1:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.80 +/- 0.20  24.359% * 90.7641% (1.00  10.0 10.00   5.54 187.34) =  81.258%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.30 +/- 0.14  75.102% *  6.7893% (0.07  10.0 10.00   5.42 218.26) =  18.740%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.05 +/- 1.31   0.227% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HD2   LYS+  74   8.74 +/- 1.06   0.043% *  0.0838% (0.92   1.0  1.00   0.02   8.65) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.67 +/- 0.64   0.198% *  0.0121% (0.13   1.0  1.00   0.02  22.82) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  11.96 +/- 2.26   0.021% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.15 +/- 1.64   0.032% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.98 +/- 1.23   0.003% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.10 +/- 1.23   0.004% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.31 +/- 1.07   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  17.94 +/- 2.54   0.001% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.71 +/- 1.34   0.006% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.60 +/- 0.99   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.10 +/- 1.03   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.12 +/- 0.98   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.24 +/- 1.33   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.04 +/- 2.30   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.94 +/- 1.18   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.15 +/- 0.99   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.70 +/- 1.50   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.90 +/- 0.14  96.754% * 99.2094% (1.00  10.0 10.00   4.97 187.34) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   5.98 +/- 0.96   2.701% *  0.0306% (0.31   1.0  1.00   0.02  32.05) =   0.001%
          QD1   LEU   67 - HD2   LYS+  74  10.31 +/- 1.69   0.090% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.09 +/- 1.22   0.087% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   8.47 +/- 0.78   0.176% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  11.62 +/- 0.95   0.028% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.09 +/- 1.11   0.010% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  12.51 +/- 1.95   0.024% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  13.74 +/- 1.75   0.014% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.17 +/- 1.31   0.028% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.91 +/- 0.92   0.039% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.15 +/- 1.42   0.028% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.82 +/- 1.16   0.015% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  21.75 +/- 0.90   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.23 +/- 3.63   0.003% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.63 +/- 0.84   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.30 +/- 0.14  99.661% * 99.4851% (1.00  10.0 10.00   4.97 187.34) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   6.77 +/- 1.16   0.291% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74   9.62 +/- 1.69   0.030% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.76 +/- 1.18   0.007% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.70 +/- 1.76   0.010% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.77 +/- 0.86   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.25 +/- 1.11   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.16 +/- 0.98   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.46 +/- 1.38   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.27 +/- 1.08   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.3:
    *   T HA    LYS+  74 - QE    LYS+  74   2.85 +/- 0.56  99.736% * 99.8966% (0.80 10.00   4.93 187.34) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   8.73 +/- 0.95   0.171% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74   9.90 +/- 1.29   0.093% *  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 = 187.3:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.90 +/- 0.64  99.402% * 99.4757% (0.80 10.00   4.62 187.34) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   8.76 +/- 0.47   0.225% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.11 +/- 1.79   0.130% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  11.79 +/- 2.17   0.063% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.66 +/- 0.91   0.017% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  11.26 +/- 1.29   0.050% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.27 +/- 1.20   0.066% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.07 +/- 1.34   0.017% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  12.97 +/- 1.17   0.024% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  15.86 +/- 2.29   0.008% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.16 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.3:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.79 +/- 0.67  97.831% * 99.1206% (1.00  10.0 10.00   4.54 187.34) =  99.999%  kept
          HG13  ILE   19 - QE    LYS+  74   8.32 +/- 1.02   0.391% *  0.0915% (0.92   1.0  1.00   0.02   8.65) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.40 +/- 1.47   1.500% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  10.66 +/- 1.99   0.120% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.89 +/- 1.36   0.052% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  10.38 +/- 1.07   0.063% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  15.09 +/- 1.87   0.010% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.30 +/- 0.95   0.029% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.26 +/- 0.98   0.003% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.05 +/- 0.90   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.3:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.88 +/- 0.38  93.555% * 99.5285% (1.00  10.0 10.00   4.00 187.34) =  99.998%  kept
          HB    VAL   75 - QE    LYS+  74   5.67 +/- 1.15   5.849% *  0.0307% (0.31   1.0  1.00   0.02  32.05) =   0.002%
          QD1   LEU   67 - QE    LYS+  74   8.94 +/- 1.20   0.222% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.27 +/- 1.13   0.162% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.34 +/- 0.93   0.070% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  10.57 +/- 1.72   0.089% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.39 +/- 1.00   0.022% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.18 +/- 1.52   0.030% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.3:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.30 +/- 0.14  99.473% * 99.2156% (1.00  10.0 10.00   4.97 187.34) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   6.79 +/- 1.48   0.491% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.16 +/- 1.42   0.020% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.27 +/- 1.00   0.009% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.46 +/- 1.24   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.77 +/- 0.86   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  16.62 +/- 1.90   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.41 +/- 1.82   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  17.90 +/- 2.26   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - HA    VAL   75   2.84 +/- 0.25  98.178% * 99.3939% (1.00  10.0 10.00   3.44  84.42) =  99.999%  kept
          HG3   LYS+  74 - HA    VAL   75   5.88 +/- 0.64   1.774% *  0.0307% (0.31   1.0  1.00   0.02  32.05) =   0.001%
        T QD1   ILE  119 - HA    VAL   75  14.84 +/- 2.04   0.008% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  12.65 +/- 0.82   0.016% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.42 +/- 1.64   0.013% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  13.95 +/- 1.00   0.009% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.01 +/- 0.92   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - HA    VAL   75   2.66 +/- 0.16  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.42) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.97 +/- 2.36   0.006% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - HA    VAL   75   2.38 +/- 0.38  99.981% * 99.9036% (1.00  10.0 10.00   4.00  84.42) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.74 +/- 0.75   0.019% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 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   2.84 +/- 0.25  99.975% * 99.7003% (1.00  10.0 10.00   3.44  84.42) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  17.16 +/- 2.80   0.004% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  16.05 +/- 1.68   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.17 +/- 1.04   0.013% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.40 +/- 1.06   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.997% * 99.9055% (1.00  10.0 10.00   3.44  84.42) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.50 +/- 2.84   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T QG2   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.983% * 99.0442% (1.00  10.0 10.00   3.31  84.42) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.34 +/- 0.83   0.017% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG1   VAL   75   2.66 +/- 0.16  99.972% * 99.6578% (1.00  10.0 10.00   4.00  84.42) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.60 +/- 0.85   0.010% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  14.37 +/- 1.32   0.006% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.94 +/- 1.14   0.009% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.78 +/- 2.03   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.864% * 99.7607% (1.00  10.0 10.00   3.44  84.42) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.80 +/- 0.63   0.113% *  0.0308% (0.31   1.0  1.00   0.02  32.05) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  10.71 +/- 0.84   0.007% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  10.57 +/- 1.08   0.008% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.14 +/- 1.10   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.41 +/- 1.79   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.41 +/- 1.01   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - QG1   VAL   75   2.09 +/- 0.04  99.985% * 99.9036% (1.00  10.0 10.00   4.00  84.42) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.27 +/- 0.65   0.015% *  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   2.38 +/- 0.38  99.968% * 99.8572% (1.00  10.0 10.00   4.00  84.42) = 100.000%  kept
          HA    ALA   61 - QG2   VAL   75  11.67 +/- 0.96   0.019% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   75  14.52 +/- 1.09   0.004% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.66 +/- 1.34   0.006% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  15.01 +/- 1.81   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T HB    VAL   75 - QG2   VAL   75   2.13 +/- 0.01  99.787% * 99.7607% (1.00  10.0 10.00   3.31  84.42) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.25 +/- 0.40   0.172% *  0.0308% (0.31   1.0  1.00   0.02  32.05) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.29 +/- 0.80   0.017% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75   9.96 +/- 0.78   0.011% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.76 +/- 1.24   0.008% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.00 +/- 1.54   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.22 +/- 0.67   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - QG2   VAL   75   2.09 +/- 0.04  99.996% * 99.9055% (1.00  10.0 10.00   4.00  84.42) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  12.17 +/- 1.80   0.004% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.9, residual support = 36.2:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.90 +/- 0.19  94.029% * 99.1090% (1.00  10.0 10.00   2.90  36.22) =  99.997%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.37 +/- 0.49   2.803% *  0.0720% (0.73   1.0  1.00   0.02   3.20) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.57 +/- 1.17   2.436% *  0.0362% (0.04   1.0 10.00   0.02   9.87) =   0.001%
          HB2   ASN   69 - HA    LEU   67   7.04 +/- 0.99   0.716% *  0.0159% (0.16   1.0  1.00   0.02   2.96) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.57 +/- 1.36   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  15.49 +/- 2.01   0.007% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  21.34 +/- 0.90   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.04 +/- 1.07   0.001% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.01 +/- 0.61   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.98 +/- 0.63   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.58 +/- 1.24   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.89 +/- 0.97   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.2:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.72 +/- 0.20  99.608% * 99.2676% (0.87  10.0 10.00   2.99  36.22) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  11.22 +/- 2.57   0.066% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  10.60 +/- 2.51   0.247% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.36 +/- 1.25   0.016% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.18 +/- 1.81   0.021% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  15.20 +/- 0.62   0.004% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.00 +/- 2.44   0.026% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  18.91 +/- 1.32   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  21.88 +/- 1.47   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.76 +/- 2.02   0.004% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.23 +/- 1.45   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.08 +/- 1.17   0.004% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  24.71 +/- 1.36   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.50 +/- 1.10   0.000% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  23.70 +/- 1.29   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.43 +/- 1.32   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.9, residual support = 36.2:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.90 +/- 0.19  97.470% * 99.3094% (1.00  10.0 10.00   2.90  36.22) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.57 +/- 1.17   2.520% *  0.0515% (0.05   1.0 10.00   0.02   9.87) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  17.57 +/- 1.36   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  15.49 +/- 2.01   0.007% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.04 +/- 1.07   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  21.34 +/- 0.90   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.89, residual support = 36.2:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.756% * 98.9845% (0.87  10.0 10.00   2.89  36.22) = 100.000%  kept
          QG    GLN   90 - HB2   ASP-  76  11.99 +/- 3.15   0.153% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  33   7.17 +/- 1.88   0.079% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  13.57 +/- 2.63   0.001% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  10.00 +/- 2.34   0.007% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  13.78 +/- 1.05   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.67 +/- 2.33   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.23 +/- 2.22   0.002% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.23 +/- 1.58   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.92 +/- 1.12   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.79 +/- 1.07   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.00 +/- 1.51   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.38 +/- 2.81   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.67 +/- 1.45   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.09 +/- 1.17   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.32 +/- 1.93   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  25.32 +/- 1.30   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.72 +/- 1.92   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.70 +/- 2.04   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.80 +/- 1.44   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  22.10 +/- 2.75   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.63 +/- 1.62   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  21.94 +/- 1.86   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.15 +/- 1.82   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.2:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.72 +/- 0.20 100.000% * 99.7513% (0.87  10.0 10.00   2.99  36.22) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  21.88 +/- 1.47   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.89, residual support = 36.2:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  99.272% * 99.3726% (0.87  10.0 10.00   2.89  36.22) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.44 +/- 0.85   0.728% *  0.0722% (0.63   1.0  1.00   0.02   3.20) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  17.23 +/- 1.58   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  14.27 +/- 0.92   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.79 +/- 1.07   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  24.85 +/- 0.99   0.000% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HB    THR   77 - HA    THR   77   2.51 +/- 0.08  99.320% * 99.3000% (1.00  10.0 10.00   3.00  37.74) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   5.99 +/- 0.32   0.587% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   9.47 +/- 1.58   0.048% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.03 +/- 0.67   0.027% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.77 +/- 1.21   0.012% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.66 +/- 1.95   0.004% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.41 +/- 2.24   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.08 +/- 1.54   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.81 +/- 1.06   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.04 +/- 1.24   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  33.83 +/- 1.65   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.78 +/- 1.24   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T QG2   THR   77 - HA    THR   77   2.43 +/- 0.14  99.943% * 99.7982% (1.00  10.0 10.00   3.00  37.74) = 100.000%  kept
          QB    ALA   88 - HA    THR   77  10.13 +/- 0.77   0.026% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.62 +/- 0.87   0.031% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.20 +/- 2.18   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  23.57 +/- 1.82   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  26.11 +/- 1.48   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - HB    THR   77   2.51 +/- 0.08  99.952% * 99.9104% (1.00  10.0 10.00   3.00  37.74) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.19 +/- 1.88   0.040% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.16 +/- 0.71   0.009% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.982% * 99.5496% (1.00  10.0 10.00   2.83  37.74) = 100.000%  kept
        T QG2   THR   23 - HB    THR   77  11.45 +/- 0.79   0.005% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB    THR   77   9.92 +/- 1.09   0.013% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  17.93 +/- 2.22   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  24.89 +/- 2.00   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  27.94 +/- 1.71   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - QG2   THR   77   2.43 +/- 0.14  99.678% * 99.9104% (1.00  10.0 10.00   3.00  37.74) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.33 +/- 1.40   0.289% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.50 +/- 0.75   0.034% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.7:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.744% * 99.3000% (1.00  10.0 10.00   2.83  37.74) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   7.02 +/- 0.62   0.097% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   8.16 +/- 1.33   0.052% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.23 +/- 0.29   0.074% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.34 +/- 1.45   0.012% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.29 +/- 1.07   0.011% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.58 +/- 1.41   0.010% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.77 +/- 1.84   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.63 +/- 0.85   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.71 +/- 0.95   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  28.29 +/- 1.28   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.70 +/- 1.06   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 39.7:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.96 +/- 0.14  97.872% * 99.6931% (1.00  10.0 10.00   3.43  39.67) =  99.998%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.02 +/- 0.80   2.109% *  0.0724% (0.73   1.0  1.00   0.02   3.20) =   0.002%
          HB2   ASP-  86 - HA    ASP-  78  13.47 +/- 1.13   0.015% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  17.47 +/- 0.64   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.73 +/- 1.34   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.00 +/- 2.17   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.93 +/- 0.80   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.7:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.70 +/- 0.15  99.924% * 99.8720% (1.00  10.0 10.00   2.31  39.67) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.05 +/- 1.72   0.058% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.76 +/- 1.20   0.018% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.95 +/- 1.97   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.18 +/- 2.20   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 39.7:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.96 +/- 0.14  99.257% * 99.8154% (1.00  10.0 10.00   3.43  39.67) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   7.80 +/- 0.82   0.467% *  0.0486% (0.49   1.0  1.00   0.02   3.89) =   0.000%
          HA    THR   23 - HB2   ASP-  78   8.83 +/- 1.19   0.230% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  11.19 +/- 1.13   0.045% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.37 +/- 1.23   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.8, residual support = 39.7:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.990% * 99.8720% (1.00  10.0 10.00   2.80  39.67) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   9.53 +/- 1.78   0.007% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.78 +/- 1.35   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.47 +/- 2.09   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.28 +/- 2.18   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.7:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.70 +/- 0.15  99.728% * 99.8154% (1.00  10.0 10.00   2.31  39.67) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.40 +/- 0.87   0.194% *  0.0486% (0.49   1.0  1.00   0.02   3.89) =   0.000%
          HA    THR   23 - HB3   ASP-  78   9.72 +/- 1.02   0.063% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  12.10 +/- 0.99   0.015% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.25 +/- 1.64   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.8, residual support = 39.7:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.276% * 99.6931% (1.00  10.0 10.00   2.80  39.67) =  99.999%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.92 +/- 1.09   0.722% *  0.0724% (0.73   1.0  1.00   0.02   3.20) =   0.001%
          HB2   ASP-  86 - HB3   ASP-  78  14.52 +/- 2.00   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  17.77 +/- 0.68   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.18 +/- 1.33   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.48 +/- 2.30   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.05 +/- 0.97   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 = 4.35, residual support = 56.3:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.85 +/- 0.19  99.969% * 98.4729% (1.00  10.0 10.00   4.35  56.33) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  14.88 +/- 3.09   0.010% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  12.76 +/- 0.75   0.015% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.79 +/- 2.35   0.005% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  25.93 +/- 0.74   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  21.48 +/- 1.52   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  30.49 +/- 2.10   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 56.3:
    * O T QG    GLU-  79 - HA    GLU-  79   2.52 +/- 0.18  99.999% * 99.7507% (1.00  10.0 10.00   3.48  56.33) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  18.52 +/- 1.36   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.80 +/- 0.76   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.48 +/- 1.32   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  27.51 +/- 2.39   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  27.86 +/- 2.14   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 56.3:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.85 +/- 0.19  99.737% * 99.4064% (1.00  10.0 10.00   4.35  56.33) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   8.02 +/- 0.51   0.233% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.27 +/- 0.92   0.014% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  13.54 +/- 1.03   0.011% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.49 +/- 2.37   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  17.68 +/- 1.55   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.79 +/- 1.74   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.70 +/- 1.11   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  31.70 +/- 2.25   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.3:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.31 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.52  56.33) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  17.59 +/- 1.60   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.92 +/- 0.94   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.38 +/- 1.09   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.39 +/- 1.72   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.92 +/- 2.38   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 56.3:
    * O T HA    GLU-  79 - QG    GLU-  79   2.52 +/- 0.18  99.918% * 99.4064% (1.00  10.0 10.00   3.48  56.33) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.68 +/- 0.21   0.066% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.40 +/- 0.80   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  13.50 +/- 0.71   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  17.46 +/- 2.13   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  17.51 +/- 1.32   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.14 +/- 1.47   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.36 +/- 0.77   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  28.19 +/- 2.13   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.3:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.31 +/- 0.10  99.968% * 99.5443% (1.00  10.0 10.00   3.52  56.33) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   9.34 +/- 0.91   0.028% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  15.05 +/- 2.84   0.003% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.69 +/- 2.21   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.12 +/- 1.31   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.31 +/- 0.86   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  25.48 +/- 2.04   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.61, residual support = 82.1:
    *   T QD1   LEU   80 - HA    LEU   80   2.96 +/- 0.67  99.851% * 98.6414% (0.65 10.00   5.61  82.10) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  12.88 +/- 1.50   0.037% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  12.68 +/- 0.70   0.030% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  11.10 +/- 0.98   0.073% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  18.66 +/- 1.69   0.003% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.21 +/- 1.69   0.005% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.08 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 82.1:
    * O   HA    LEU   80 - HB2   LEU   80   2.66 +/- 0.33  95.504% * 99.6992% (1.00  10.0   5.02  82.10) =  99.996%  kept
          HA    THR   23 - HB2   LEU   80   5.48 +/- 1.11   3.991% *  0.0798% (0.80   1.0   0.02   8.52) =   0.003%
          HB    THR   23 - HB2   LEU   80   7.60 +/- 1.14   0.261% *  0.0962% (0.97   1.0   0.02   8.52) =   0.000%
          HA    ASP-  78 - HB2   LEU   80   8.20 +/- 0.90   0.243% *  0.0485% (0.49   1.0   0.02   3.89) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.11 +/- 1.24   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.31, residual support = 82.1:
    * O T QD1   LEU   80 - HB2   LEU   80   2.44 +/- 0.33  99.909% * 97.5236% (0.65  10.0 10.00   4.31  82.10) = 100.000%  kept
        T QG2   VAL   41 - HB2   LEU   80  11.02 +/- 0.82   0.017% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.28 +/- 1.59   0.021% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   9.39 +/- 0.76   0.048% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  16.86 +/- 1.82   0.002% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.43 +/- 1.75   0.003% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.633, support = 5.26, residual support = 74.7:
    *   T HA    LEU   80 - QD1   LEU   80   2.96 +/- 0.67  42.589% * 87.1089% (0.65 10.00   5.61  82.10) =  90.042%  kept
          HA    THR   23 - QD1   LEU   80   2.83 +/- 1.02  54.031% *  7.4032% (0.52  1.00   2.12   8.52) =   9.709%  kept
          HB    THR   23 - QD1   LEU   80   4.84 +/- 1.07   2.161% *  4.7289% (0.62  1.00   1.13   8.52) =   0.248%
          HA    ASP-  78 - QD1   LEU   80   6.54 +/- 0.86   1.070% *  0.0424% (0.31  1.00   0.02   3.89) =   0.001%
        T HA    LEU   80 - QD2   LEU   98  12.88 +/- 1.50   0.013% *  0.4993% (0.37 10.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.62 +/- 0.87   0.116% *  0.0382% (0.28  1.00   0.02   0.58) =   0.000%
          HB    THR   23 - QD2   LEU   98  13.89 +/- 1.18   0.007% *  0.0482% (0.36  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.48 +/- 1.31   0.008% *  0.0400% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  17.93 +/- 1.18   0.002% *  0.0666% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.25 +/- 2.21   0.002% *  0.0243% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.9:
    * O T QB    LYS+  81 - HA    LYS+  81   2.33 +/- 0.10  99.824% * 97.5498% (1.00  10.0 10.00   4.97 101.90) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.66 +/- 2.91   0.165% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.08 +/- 1.91   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.42 +/- 3.03   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  15.88 +/- 2.13   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.16 +/- 2.11   0.005% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  15.24 +/- 0.74   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.18 +/- 0.83   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  20.09 +/- 2.21   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.12 +/- 1.34   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.17 +/- 1.96   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  22.13 +/- 1.73   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  27.75 +/- 0.95   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.48 +/- 1.71   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.14 +/- 2.88   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 101.9:
    * O T QG    LYS+  81 - HA    LYS+  81   2.48 +/- 0.26  99.993% * 98.1658% (1.00  10.0 10.00   4.21 101.90) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  18.25 +/- 2.49   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  21.09 +/- 0.84   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  13.39 +/- 1.04   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  21.94 +/- 2.57   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.9:
    *   T QD    LYS+  81 - HA    LYS+  81   3.83 +/- 0.46  99.915% * 99.7569% (1.00 10.00   3.44 101.90) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  12.97 +/- 1.10   0.080% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  23.98 +/- 1.36   0.002% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  22.89 +/- 1.04   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.9:
    *   T QE    LYS+  81 - HA    LYS+  81   3.46 +/- 0.61  99.957% * 99.9825% (1.00 10.00   3.44 101.90) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.11 +/- 2.48   0.043% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.9:
    * O T HA    LYS+  81 - QB    LYS+  81   2.33 +/- 0.10  99.918% * 98.7606% (1.00  10.0 10.00   4.97 101.90) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.90 +/- 0.43   0.071% *  0.0733% (0.07   1.0 10.00   0.02   1.75) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.42 +/- 1.38   0.000% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.42 +/- 3.03   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  13.11 +/- 1.78   0.005% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.58 +/- 0.79   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.48 +/- 1.42   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.29 +/- 0.84   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  26.82 +/- 3.76   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.65 +/- 1.05   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.69 +/- 2.62   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.26 +/- 0.96   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.70 +/- 1.90   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  35.39 +/- 1.53   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 101.9:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  99.985% * 97.8497% (1.00  10.0 10.00   4.52 101.90) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  18.18 +/- 2.00   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  15.86 +/- 2.63   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.32 +/- 0.89   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  18.55 +/- 2.47   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  13.86 +/- 0.83   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.64 +/- 3.38   0.011% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  13.92 +/- 1.85   0.002% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  21.28 +/- 2.10   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.46 +/- 2.03   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.9:
    * O T QD    LYS+  81 - QB    LYS+  81   2.29 +/- 0.15  99.995% * 99.6151% (1.00  10.0 10.00   3.74 101.90) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.64 +/- 0.72   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  15.86 +/- 2.67   0.001% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.32 +/- 1.19   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.24 +/- 0.92   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.19 +/- 1.55   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  23.01 +/- 1.73   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.87 +/- 1.45   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.9:
    *     QE    LYS+  81 - QB    LYS+  81   2.26 +/- 0.46  99.903% * 99.8347% (1.00   3.74 101.90) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  13.00 +/- 2.24   0.021% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52   9.10 +/- 0.98   0.067% *  0.0107% (0.02   0.02   3.47) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  15.25 +/- 3.49   0.010% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 101.9:
    * O T HA    LYS+  81 - QG    LYS+  81   2.48 +/- 0.26  99.807% * 98.8267% (1.00  10.0 10.00   4.21 101.90) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.10 +/- 0.52   0.103% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.03 +/- 0.38   0.053% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  21.09 +/- 0.84   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  18.25 +/- 2.49   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  13.42 +/- 0.65   0.006% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.30 +/- 2.31   0.024% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.06 +/- 1.50   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.02 +/- 0.69   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.76 +/- 1.25   0.001% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.39 +/- 2.90   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  26.51 +/- 5.92   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.01 +/- 1.78   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.75 +/- 1.54   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.90 +/- 1.34   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  20.07 +/- 1.36   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.53 +/- 2.61   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.89 +/- 2.75   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.48 +/- 2.13   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.13 +/- 0.97   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.78 +/- 2.20   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.815, support = 4.84, residual support = 115.3:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  44.145% * 57.8388% (1.00  10.0 10.00   4.52 101.90) =  69.755%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  28.671% * 26.7248% (0.46  10.0 10.00   5.67 150.40) =  20.933%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.29 +/- 0.13  26.844% * 12.6979% (0.22  10.0 10.00   5.33 136.51) =   9.312%  kept
          HB3   GLN   90 - QG    LYS+  81   9.97 +/- 2.78   0.074% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.12 +/- 0.59   0.101% *  0.0104% (0.18   1.0  1.00   0.02   0.28) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.70 +/- 1.94   0.092% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.52 +/- 0.54   0.063% *  0.0114% (0.20   1.0  1.00   0.02  20.53) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.75 +/- 1.66   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.91 +/- 0.80   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  15.86 +/- 2.63   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.37 +/- 1.28   0.002% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.45 +/- 2.17   0.002% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.34 +/- 1.19   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.18 +/- 2.00   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.32 +/- 0.89   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.56 +/- 1.25   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.95 +/- 1.72   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  14.55 +/- 0.67   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.03 +/- 2.88   0.001% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  18.98 +/- 3.54   0.001% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.72 +/- 1.49   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.35 +/- 1.74   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.80 +/- 1.62   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.52 +/- 2.02   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.13 +/- 1.82   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.55 +/- 2.47   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.67 +/- 2.11   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.46 +/- 1.10   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.94 +/- 1.50   0.000% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.02 +/- 1.54   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.97 +/- 1.25   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.45 +/- 1.34   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.19 +/- 1.03   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.20 +/- 0.74   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.13 +/- 2.04   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.62 +/- 2.33   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.46 +/- 2.03   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.35 +/- 1.66   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.03 +/- 1.62   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.61 +/- 2.66   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.14 +/- 2.70   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.27 +/- 1.57   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  26.05 +/- 4.39   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.42 +/- 1.15   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.98 +/- 1.73   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.9:
    * O T QD    LYS+  81 - QG    LYS+  81   2.04 +/- 0.02  99.962% * 98.8994% (1.00  10.0 10.00   3.74 101.90) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.01 +/- 1.60   0.028% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  13.10 +/- 0.55   0.002% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.17 +/- 0.87   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.39 +/- 1.41   0.002% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.90 +/- 1.91   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  21.52 +/- 0.71   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.27 +/- 1.80   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.27 +/- 1.39   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.10 +/- 1.06   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  20.87 +/- 0.87   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  21.73 +/- 1.51   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 = 3.74, residual support = 101.9:
    * O   QE    LYS+  81 - QG    LYS+  81   2.28 +/- 0.13  99.988% * 99.9005% (1.00  10.0   3.74 101.90) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  11.82 +/- 2.27   0.011% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.62 +/- 2.13   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  21.69 +/- 1.04   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.08 +/- 1.68   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.34 +/- 1.79   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.9:
    *   T HA    LYS+  81 - QD    LYS+  81   3.83 +/- 0.46  99.951% * 99.7133% (1.00 10.00   3.44 101.90) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.39 +/- 1.81   0.013% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.24 +/- 0.56   0.030% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  26.84 +/- 0.64   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.58 +/- 1.53   0.004% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.09 +/- 3.20   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.42 +/- 1.16   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.9:
    * O T QB    LYS+  81 - QD    LYS+  81   2.29 +/- 0.15  99.831% * 98.9997% (1.00  10.0 10.00   3.74 101.90) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81  10.11 +/- 2.88   0.157% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.86 +/- 2.67   0.001% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.56 +/- 2.25   0.007% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.76 +/- 1.77   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  17.15 +/- 2.09   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  16.36 +/- 0.67   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.53 +/- 0.80   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.30 +/- 1.50   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  21.18 +/- 1.79   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.74 +/- 1.14   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.70 +/- 1.07   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  27.97 +/- 0.86   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.04 +/- 1.81   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.16 +/- 3.19   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.9:
    * O T QG    LYS+  81 - QD    LYS+  81   2.04 +/- 0.02  99.998% * 98.1658% (1.00  10.0 10.00   3.74 101.90) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.27 +/- 1.80   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  21.52 +/- 0.71   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  13.61 +/- 1.18   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.30 +/- 1.96   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 = 101.9:
    * O   QE    LYS+  81 - QD    LYS+  81   2.11 +/- 0.02  99.979% * 99.9825% (1.00  10.0   3.00 101.90) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  11.18 +/- 2.56   0.021% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.9:
    *   T HA    LYS+  81 - QE    LYS+  81   3.46 +/- 0.61  99.967% * 99.7133% (1.00 10.00   3.44 101.90) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.09 +/- 2.10   0.010% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.34 +/- 0.88   0.019% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  26.93 +/- 0.99   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.97 +/- 2.03   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.62 +/- 2.83   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.21 +/- 1.11   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.09 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   2.75 +/- 0.09  98.903% * 97.1708% (0.95  10.0 10.00   2.96  33.45) =  99.999%  kept
          HA    GLU-  29 - HA    GLU-  25   6.17 +/- 0.32   0.838% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.05 +/- 0.30   0.166% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  10.96 +/- 1.86   0.037% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.28 +/- 2.11   0.006% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.70 +/- 0.38   0.030% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  19.97 +/- 1.56   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  12.81 +/- 0.52   0.010% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.49 +/- 1.09   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  20.38 +/- 0.79   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.89 +/- 0.75   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.73 +/- 1.46   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.05 +/- 1.42   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  20.11 +/- 1.62   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.39 +/- 0.58   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.42 +/- 1.02   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  23.05 +/- 1.08   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.97 +/- 1.74   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.13 +/- 1.83   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  30.17 +/- 1.88   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HB3   SER   82 - HA    SER   82   2.94 +/- 0.14  99.730% * 98.8194% (1.00  10.0 10.00   2.00  33.45) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25  10.56 +/- 2.20   0.079% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.41 +/- 0.58   0.053% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.06 +/- 0.37   0.124% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  18.94 +/- 1.20   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.65 +/- 0.79   0.002% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  19.88 +/- 1.63   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.97 +/- 0.55   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.99 +/- 0.95   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.22 +/- 1.40   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.25 +/- 1.40   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  25.34 +/- 1.11   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  22.07 +/- 1.85   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.80 +/- 1.10   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  29.52 +/- 1.87   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.88 +/- 1.95   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.42 +/- 2.14   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  27.17 +/- 1.80   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.4:
    * O T HA    SER   82 - HB2   SER   82   2.75 +/- 0.09  99.860% * 97.8439% (0.95  10.0 10.00   2.96  33.45) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  10.96 +/- 1.86   0.038% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.28 +/- 2.11   0.006% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.98 +/- 1.02   0.062% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  19.97 +/- 1.56   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.53 +/- 0.84   0.021% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  20.38 +/- 0.79   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.82 +/- 0.74   0.007% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  16.62 +/- 1.84   0.003% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.89 +/- 0.75   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.76 +/- 0.73   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.88 +/- 1.56   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.07 +/- 1.47   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.87 +/- 1.38   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.67 +/- 0.91   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.4:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.328% * 96.7159% (0.95  10.0 10.00   2.33  33.45) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   5.13 +/- 1.24   0.612% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.63 +/- 1.50   0.027% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.45 +/- 1.26   0.011% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.50 +/- 1.74   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.02 +/- 2.38   0.001% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.71 +/- 0.60   0.015% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.41 +/- 0.75   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.35 +/- 2.64   0.001% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  20.94 +/- 1.77   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.09 +/- 0.97   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  17.68 +/- 1.63   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  24.93 +/- 1.35   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  16.59 +/- 2.47   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  27.27 +/- 1.39   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.77 +/- 1.25   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.02 +/- 1.54   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  21.67 +/- 1.52   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  25.20 +/- 1.82   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.55 +/- 1.48   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  21.65 +/- 0.87   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.98 +/- 2.27   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  28.86 +/- 1.59   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.58 +/- 1.13   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.14 +/- 1.77   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.10 +/- 1.34   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.93 +/- 1.38   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HA    SER   82 - HB3   SER   82   2.94 +/- 0.14  99.919% * 99.1601% (1.00  10.0 10.00   2.00  33.45) = 100.000%  kept
        T HA    GLU-  25 - HB3   SER   82  10.56 +/- 2.20   0.079% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  21.01 +/- 1.54   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.41 +/- 0.81   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.21 +/- 1.00   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.4:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.33  33.45) = 100.000%  kept
        T HA    SER   48 - HB3   SER   82  16.02 +/- 2.38   0.001% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82   9.87 +/- 0.38   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.30 +/- 1.60   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  15.39 +/- 2.42   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  18.14 +/- 2.86   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  24.93 +/- 1.35   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.76 +/- 0.70   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  21.14 +/- 2.32   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  28.56 +/- 1.71   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   2.92 +/- 0.16  99.974% * 96.5761% (0.90  10.0 10.00   3.97  87.03) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.35 +/- 1.26   0.009% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.14 +/- 2.36   0.003% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  22.03 +/- 2.53   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  23.82 +/- 1.90   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  17.18 +/- 3.79   0.006% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.02 +/- 1.97   0.003% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.67 +/- 1.65   0.003% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  24.87 +/- 2.78   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.82 +/- 2.72   0.001% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.12 +/- 2.56   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.21 +/- 2.75   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 87.0:
    * O T QG1   VAL   83 - HA    VAL   83   2.31 +/- 0.22  99.364% * 99.5865% (0.87  10.0 10.00   4.25  87.03) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.94 +/- 1.02   0.510% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    VAL   83   7.41 +/- 0.36   0.110% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  10.99 +/- 1.36   0.014% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.64 +/- 1.90   0.001% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.87 +/- 1.75   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  19.34 +/- 2.29   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 87.0:
    * O T QG2   VAL   83 - HA    VAL   83   2.62 +/- 0.30  99.361% * 99.8380% (1.00  10.0 10.00   4.39  87.03) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   6.89 +/- 0.69   0.560% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83   9.47 +/- 2.25   0.079% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 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   2.92 +/- 0.16  99.993% * 97.8171% (0.90  10.0 10.00   3.97  87.03) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  20.01 +/- 2.05   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  21.93 +/- 1.90   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.24 +/- 1.55   0.005% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  20.89 +/- 2.22   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.31, residual support = 87.0:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  93.043% * 99.5865% (0.78  10.0 10.00   4.31  87.03) =  99.993%  kept
          QD2   LEU   80 - HB    VAL   83   3.89 +/- 1.30   6.808% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.007%
          QG2   ILE   89 - HB    VAL   83   6.63 +/- 0.58   0.135% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   9.82 +/- 1.38   0.013% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  17.53 +/- 1.50   0.000% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.68 +/- 1.75   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  18.32 +/- 2.38   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 87.0:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  99.756% * 99.8380% (0.90  10.0 10.00   4.45  87.03) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.59 +/- 0.94   0.207% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   8.77 +/- 2.00   0.037% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 87.0:
    * O T HA    VAL   83 - QG1   VAL   83   2.31 +/- 0.22  99.994% * 99.7372% (0.87  10.0 10.00   4.25  87.03) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  14.98 +/- 1.75   0.003% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  16.15 +/- 2.32   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  19.57 +/- 1.75   0.000% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.82 +/- 2.60   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.31, residual support = 87.0:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.985% * 99.3915% (0.78  10.0 10.00   4.31  87.03) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.16 +/- 1.01   0.006% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  14.48 +/- 3.00   0.002% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.74 +/- 2.27   0.003% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.84 +/- 1.84   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  17.70 +/- 2.41   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.22 +/- 1.68   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.10 +/- 1.38   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.90 +/- 2.44   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.67 +/- 2.21   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  24.25 +/- 2.39   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.11 +/- 2.55   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.75, residual support = 87.0:
    * O T QG2   VAL   83 - QG1   VAL   83   2.06 +/- 0.06  99.623% * 99.0399% (0.87  10.0 10.00   4.75  87.03) =  99.999%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.56 +/- 0.81   0.143% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG1   VAL   83   6.83 +/- 2.29   0.234% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 87.0:
    * O T HA    VAL   83 - QG2   VAL   83   2.62 +/- 0.30  99.983% * 99.7372% (1.00  10.0 10.00   4.39  87.03) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  13.48 +/- 1.60   0.010% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  15.34 +/- 1.94   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  17.92 +/- 1.71   0.001% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.19 +/- 2.01   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 87.0:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  99.972% * 99.3915% (0.90  10.0 10.00   4.45  87.03) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83   9.69 +/- 1.19   0.014% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.63 +/- 2.80   0.003% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.56 +/- 1.79   0.002% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  12.63 +/- 1.71   0.003% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  13.36 +/- 1.50   0.003% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  17.12 +/- 1.94   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  17.82 +/- 1.41   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  19.00 +/- 2.33   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.79 +/- 2.45   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.36 +/- 2.21   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.24 +/- 2.33   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.75, residual support = 87.0:
    * O T QG1   VAL   83 - QG2   VAL   83   2.06 +/- 0.06  90.761% * 99.3306% (0.87  10.0 10.00   4.75  87.03) =  99.990%  kept
          QD2   LEU   80 - QG2   VAL   83   3.52 +/- 0.94   8.716% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   ILE   89 - QG2   VAL   83   5.30 +/- 0.63   0.446% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - QG2   VAL   83   7.37 +/- 1.27   0.071% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  13.44 +/- 1.54   0.002% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.28 +/- 1.50   0.003% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  14.64 +/- 2.06   0.001% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 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 = 2.82, residual support = 17.9:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  99.275% * 99.1332% (0.93  10.0 10.00   2.82  17.91) =  99.999%  kept
          HB3   LEU   80 - HA    ALA   84   5.65 +/- 0.74   0.703% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  11.13 +/- 1.05   0.008% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.56 +/- 1.15   0.003% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  13.79 +/- 2.24   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  11.71 +/- 0.95   0.004% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  14.24 +/- 2.68   0.002% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  14.33 +/- 1.07   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.66 +/- 3.00   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  18.56 +/- 1.21   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.26 +/- 0.71   0.001% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.82 +/- 2.65   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.35 +/- 2.28   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.82 +/- 2.24   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.32 +/- 1.39   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  23.12 +/- 2.06   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  24.23 +/- 1.01   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.82, residual support = 17.9:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.994% * 99.6067% (0.93  10.0 10.00   2.82  17.91) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  12.78 +/- 1.29   0.003% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  13.38 +/- 2.46   0.003% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  18.10 +/- 1.81   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.53 +/- 1.82   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.32 +/- 0.07  59.266% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.981%  kept
          HA    ALA   88 - HA    SER   85   2.56 +/- 0.49  40.718% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.019%
        T QB    SER   48 - HA    SER   85  13.74 +/- 2.21   0.002% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  10.40 +/- 1.78   0.012% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  17.48 +/- 1.46   0.000% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.44 +/- 1.37   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  21.24 +/- 2.19   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.74 +/- 2.39   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  26.94 +/- 2.48   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  21.10 +/- 0.78   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  28.29 +/- 2.49   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  27.53 +/- 1.93   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  26.94 +/- 2.33   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.2:
    * O T HA    SER   85 - QB    SER   85   2.32 +/- 0.07  94.532% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.21 +/- 0.18   2.928% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - QB    SER   48   6.55 +/- 1.95   2.300% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER   48   8.32 +/- 0.93   0.083% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   9.17 +/- 2.02   0.043% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.63 +/- 1.79   0.075% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.74 +/- 2.21   0.004% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.46 +/- 0.56   0.012% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  17.23 +/- 2.39   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  14.57 +/- 2.14   0.002% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  13.62 +/- 0.74   0.002% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.64 +/- 1.23   0.000% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.01 +/- 0.53   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.64 +/- 0.65   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.37 +/- 1.12   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.33 +/- 1.70   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.84 +/- 1.70   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.24 +/- 2.19   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.56 +/- 1.08   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  20.40 +/- 2.47   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.22 +/- 2.52   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.68 +/- 0.85   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.64 +/- 2.18   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.29 +/- 0.86   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.77 +/- 1.71   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.26 +/- 3.15   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  34.22 +/- 3.39   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  22.03 +/- 2.07   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.90 +/- 3.18   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.12 +/- 2.45   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.20 +/- 1.26   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  32.24 +/- 2.69   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.36 +/- 2.53   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.64 +/- 1.34   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.81 +/- 1.85   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.56 +/- 1.57   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 41.8:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.03 +/- 0.06  99.976% * 99.6568% (1.00  10.0 10.00   3.49  41.83) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  14.20 +/- 2.19   0.013% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.13 +/- 1.63   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.63 +/- 2.93   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  19.89 +/- 1.42   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  25.53 +/- 3.06   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.8:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.60 +/- 0.12  99.970% * 98.9853% (1.00  10.0 10.00   2.00  41.83) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  86  12.08 +/- 3.32   0.017% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    ASP-  86  12.13 +/- 0.91   0.010% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.28 +/- 1.75   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  18.05 +/- 1.72   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.76 +/- 1.50   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  23.11 +/- 1.97   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  24.38 +/- 1.76   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 41.8:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.03 +/- 0.06  97.737% * 99.5343% (1.00  10.0 10.00   3.49  41.83) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.76 +/- 0.19   2.149% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86  11.06 +/- 1.36   0.058% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  11.68 +/- 0.79   0.033% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  14.15 +/- 3.59   0.018% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  17.41 +/- 3.48   0.004% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.86 +/- 1.90   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.93 +/- 2.13   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  34.45 +/- 2.64   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 41.8:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.990% * 99.6638% (1.00  10.0 10.00   2.86  41.83) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  86  10.18 +/- 3.32   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86   9.89 +/- 0.90   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  16.25 +/- 2.13   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.87 +/- 1.52   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  21.51 +/- 2.02   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  23.91 +/- 1.42   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  22.53 +/- 2.14   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.8:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.60 +/- 0.12  99.196% * 99.5343% (1.00  10.0 10.00   2.00  41.83) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   5.99 +/- 0.41   0.777% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  11.88 +/- 1.35   0.014% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  12.95 +/- 0.66   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.86 +/- 3.40   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  18.18 +/- 3.48   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.59 +/- 2.02   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  32.55 +/- 2.17   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  34.98 +/- 2.70   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.86, residual support = 41.8:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.997% * 99.6568% (1.00  10.0 10.00   2.86  41.83) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  12.15 +/- 2.42   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.84 +/- 2.18   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.90 +/- 3.18   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.12 +/- 1.57   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  24.26 +/- 2.61   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.25 +/- 0.02  99.999% * 99.9010% (1.00  10.0 10.00   4.31  70.38) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.24 +/- 2.12   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.94 +/- 0.03  99.998% * 99.8563% (1.00  10.0 10.00   4.31  70.38) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  18.19 +/- 1.15   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.45 +/- 2.01   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.25 +/- 0.02  99.997% * 99.8808% (1.00  10.0 10.00   4.31  70.38) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.87 +/- 3.55   0.003% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.63 +/- 1.48   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  26.57 +/- 2.50   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  70.38) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  21.62 +/- 2.02   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  18.19 +/- 1.12   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.94 +/- 0.03  99.990% * 99.3033% (1.00  10.0 10.00   4.31  70.38) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  19.26 +/- 1.38   0.001% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  15.00 +/- 2.89   0.008% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  26.46 +/- 2.41   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  70.38) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  15.61 +/- 1.87   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.15, residual support = 11.3:
    * O T QB    ALA   88 - HA    ALA   88   2.12 +/- 0.02  99.827% * 99.6403% (1.00  10.0 10.00   2.15  11.34) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   88  10.61 +/- 1.67   0.139% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   88   8.39 +/- 0.87   0.032% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  18.04 +/- 3.18   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  17.76 +/- 0.54   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.18 +/- 1.28   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.28 +/- 1.92   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  26.88 +/- 1.05   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.15, residual support = 11.3:
    * O T HA    ALA   88 - QB    ALA   88   2.12 +/- 0.02  99.461% * 97.3461% (1.00  10.0 10.00   2.15  11.34) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.29 +/- 0.43   0.526% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.66 +/- 0.39   0.006% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.72 +/- 2.48   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.73 +/- 1.67   0.001% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  17.74 +/- 2.94   0.002% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  18.59 +/- 0.98   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.11 +/- 1.40   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  22.11 +/- 2.81   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  20.99 +/- 1.40   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  23.65 +/- 2.90   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.5:
    * O T HB    ILE   89 - HA    ILE   89   2.98 +/- 0.06  99.834% * 99.6008% (0.80  10.0 10.00   5.44 214.51) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89   9.97 +/- 0.66   0.079% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.69 +/- 1.15   0.066% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  13.13 +/- 1.73   0.018% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  19.37 +/- 1.21   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.45 +/- 1.07   0.001% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.5:
    * O T QG2   ILE   89 - HA    ILE   89   2.35 +/- 0.25  99.938% * 99.9320% (1.00  10.0 10.00   6.28 214.51) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.10 +/- 1.09   0.060% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  16.07 +/- 1.24   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 214.5:
    * O T HG12  ILE   89 - HA    ILE   89   2.85 +/- 0.44  99.640% * 99.3078% (1.00  10.0 10.00   5.63 214.51) = 100.000%  kept
          HG2   LYS+  74 - HA    ILE   89  12.33 +/- 2.40   0.332% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   89  14.27 +/- 2.75   0.021% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  21.50 +/- 1.00   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  18.75 +/- 2.37   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  19.65 +/- 1.55   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  19.31 +/- 1.98   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  21.30 +/- 1.77   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.5:
    * O T HA    ILE   89 - HB    ILE   89   2.98 +/- 0.06  99.720% * 99.2091% (0.80  10.0 10.00   5.44 214.51) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43   9.97 +/- 0.66   0.079% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.75 +/- 0.91   0.095% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.21 +/- 1.00   0.015% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  16.96 +/- 1.63   0.003% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.72 +/- 2.24   0.015% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.49 +/- 1.74   0.011% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.93 +/- 1.58   0.012% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.12 +/- 0.98   0.006% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.34 +/- 0.93   0.038% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  22.05 +/- 1.63   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  23.59 +/- 1.12   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  17.96 +/- 0.93   0.002% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.49 +/- 1.34   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.91 +/- 2.26   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.96 +/- 1.36   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.5:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.02  99.759% * 99.5317% (0.80  10.0 10.00   5.75 214.51) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   7.32 +/- 0.64   0.066% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.30 +/- 1.05   0.128% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   8.45 +/- 1.60   0.037% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.30 +/- 1.02   0.009% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  16.53 +/- 1.28   0.000% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.15, residual support = 214.5:
    * O T HG12  ILE   89 - HB    ILE   89   2.61 +/- 0.16  96.526% * 98.9436% (0.80  10.0 10.00   5.15 214.51) =  99.998%  kept
          HG2   LYS+  74 - HB    ILE   89  10.90 +/- 2.55   3.189% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - HB    VAL   43   8.34 +/- 0.91   0.118% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   8.55 +/- 0.66   0.094% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.34 +/- 0.52   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  16.16 +/- 2.30   0.005% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.60 +/- 1.08   0.027% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  21.61 +/- 1.14   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.16 +/- 0.84   0.011% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  11.35 +/- 0.88   0.017% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.59 +/- 2.21   0.002% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  17.99 +/- 2.05   0.002% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.75 +/- 1.62   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.43 +/- 1.97   0.001% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  19.96 +/- 2.35   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.75 +/- 2.08   0.001% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.5:
    * O T HA    ILE   89 - QG2   ILE   89   2.35 +/- 0.25  99.938% * 99.5272% (1.00  10.0 10.00   6.28 214.51) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.41 +/- 0.45   0.038% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  12.79 +/- 1.21   0.005% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.68 +/- 1.31   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  18.19 +/- 1.05   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  19.67 +/- 0.72   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  15.14 +/- 0.63   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.93 +/- 1.34   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.5:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.02  99.862% * 99.0138% (0.80  10.0 10.00   5.75 214.51) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   7.32 +/- 0.64   0.066% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.75 +/- 1.02   0.061% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.06 +/- 1.29   0.011% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  16.08 +/- 0.72   0.001% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  16.20 +/- 0.80   0.001% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 214.5:
    * O T HG12  ILE   89 - QG2   ILE   89   3.16 +/- 0.12  98.584% * 99.3078% (1.00  10.0 10.00   5.97 214.51) =  99.999%  kept
          HG2   LYS+  74 - QG2   ILE   89   8.26 +/- 1.44   1.270% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QG2   ILE   89  12.02 +/- 2.08   0.102% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  17.85 +/- 0.64   0.003% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.06 +/- 2.10   0.014% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.25 +/- 1.07   0.009% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  14.52 +/- 1.17   0.012% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  16.63 +/- 1.25   0.005% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 214.5:
    * O T HA    ILE   89 - HG12  ILE   89   2.85 +/- 0.44  99.621% * 98.5945% (1.00  10.0 10.00   5.63 214.51) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   8.87 +/- 1.48   0.213% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  10.27 +/- 1.15   0.084% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.14 +/- 1.45   0.054% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  16.20 +/- 2.33   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  21.50 +/- 1.00   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  17.33 +/- 3.16   0.005% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.91 +/- 1.67   0.006% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  21.04 +/- 1.37   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.96 +/- 2.23   0.002% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  22.64 +/- 0.95   0.001% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  17.48 +/- 1.14   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.43 +/- 1.40   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.68 +/- 2.39   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.09 +/- 2.28   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.51 +/- 1.31   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.672, support = 5.23, residual support = 206.5:
    * O T HB    ILE   89 - HG12  ILE   89   2.61 +/- 0.16  34.182% * 78.0851% (0.80  10.0 10.00   5.15 214.51) =  81.220%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.85 +/- 0.29  24.695% * 14.8429% (0.15  10.0  1.00   5.01 171.80) =  11.154%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.57 +/- 0.24  41.069% *  6.1021% (0.06  10.0 10.00   6.44 171.80) =   7.626%  kept
        T HB    VAL   43 - HG12  ILE   89   8.34 +/- 0.91   0.039% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.34 +/- 0.52   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.49 +/- 1.03   0.009% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.92 +/- 1.85   0.002% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.06 +/- 1.35   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.61 +/- 1.14   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.62 +/- 1.06   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.95 +/- 1.39   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.14 +/- 0.89   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 214.5:
    * O T QG2   ILE   89 - HG12  ILE   89   3.16 +/- 0.12  66.455% * 99.5013% (1.00  10.0 10.00   5.97 214.51) =  99.996%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.66 +/- 0.56  32.656% *  0.0062% (0.06   1.0  1.00   0.02  16.52) =   0.003%
          QG1   VAL   83 - HG12  ILE   89   7.45 +/- 1.23   0.878% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  17.85 +/- 0.64   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  15.14 +/- 1.34   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.75 +/- 2.12   0.003% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.9:
    * O T HB2   GLN   90 - HA    GLN   90   2.41 +/- 0.20  99.988% * 98.5005% (0.78  10.0 10.00   3.96  89.92) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  13.05 +/- 2.30   0.011% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  23.09 +/- 1.73   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  22.91 +/- 1.53   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  25.93 +/- 1.09   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.76 +/- 1.25   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 89.9:
    * O T HB3   GLN   90 - HA    GLN   90   2.82 +/- 0.18  99.366% * 99.0333% (0.82  10.0 10.00   3.97  89.92) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   8.30 +/- 2.02   0.393% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   90   8.03 +/- 0.37   0.203% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  12.56 +/- 2.04   0.019% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  15.60 +/- 2.39   0.005% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  16.04 +/- 2.42   0.006% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  18.63 +/- 2.23   0.002% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.08 +/- 3.48   0.003% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  19.05 +/- 1.16   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  19.02 +/- 1.55   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  22.42 +/- 1.47   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  29.03 +/- 1.25   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  27.99 +/- 2.21   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 89.9:
    * O T QG    GLN   90 - HA    GLN   90   2.88 +/- 0.44  99.737% * 99.3855% (0.88  10.0 10.00   3.31  89.92) = 100.000%  kept
          HB2   ASP-  44 - HA    GLN   90  13.24 +/- 2.10   0.117% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   90   9.11 +/- 0.47   0.135% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  18.99 +/- 2.63   0.007% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  19.07 +/- 1.67   0.002% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  24.37 +/- 2.62   0.001% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.96 +/- 3.19   0.001% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.81 +/- 1.49   0.001% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  34.47 +/- 3.36   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.9:
    * O T HA    GLN   90 - HB2   GLN   90   2.41 +/- 0.20  99.979% * 98.8405% (0.78  10.0 10.00   3.96  89.92) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.05 +/- 2.30   0.011% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.40 +/- 2.44   0.005% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.60 +/- 1.53   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.28 +/- 0.99   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.17 +/- 1.80   0.002% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.48 +/- 1.08   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.11 +/- 3.17   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.04 +/- 2.44   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.27 +/- 0.94   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.9:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.916% * 96.7995% (0.67  10.0 10.00   3.99  89.92) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.63 +/- 0.61   0.044% *  0.0752% (0.52   1.0  1.00   0.02   1.43) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   8.98 +/- 2.44   0.028% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  14.93 +/- 3.21   0.003% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   9.11 +/- 0.72   0.006% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.17 +/- 2.34   0.001% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  12.89 +/- 1.43   0.001% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  16.93 +/- 2.23   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  17.62 +/- 2.31   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.72 +/- 2.15   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.78 +/- 1.41   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.85 +/- 1.67   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.47 +/- 2.81   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  19.19 +/- 2.45   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  19.93 +/- 1.54   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.22 +/- 1.25   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.63 +/- 3.26   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  20.64 +/- 1.80   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  20.68 +/- 1.69   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  23.81 +/- 1.67   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.92 +/- 1.84   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.42 +/- 1.26   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  26.73 +/- 1.05   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  23.51 +/- 1.83   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  29.47 +/- 2.36   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  27.74 +/- 1.55   0.000% *  0.0441% (0.30   1.0  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 = 89.9:
    * O T QG    GLN   90 - HB2   GLN   90   2.40 +/- 0.13  99.734% * 96.7466% (0.72  10.0 10.00   3.63  89.92) =  99.998%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.71 +/- 3.16   0.226% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU-  29 - HB3   GLU-  79  13.23 +/- 1.36   0.005% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.15 +/- 2.03   0.005% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90  10.29 +/- 0.83   0.020% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  13.23 +/- 1.07   0.004% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  16.78 +/- 1.42   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.82 +/- 2.68   0.001% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.34 +/- 1.90   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.91 +/- 1.39   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.68 +/- 2.89   0.002% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.12 +/- 1.45   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  28.59 +/- 2.27   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.28 +/- 1.55   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  25.95 +/- 2.81   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.62 +/- 3.57   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  36.09 +/- 3.66   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.49 +/- 1.65   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 89.9:
    * O T HA    GLN   90 - HB3   GLN   90   2.82 +/- 0.18  99.956% * 99.7400% (0.82  10.0 10.00   3.97  89.92) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.57 +/- 2.74   0.031% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  17.93 +/- 1.73   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.37 +/- 2.11   0.010% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  18.04 +/- 0.96   0.002% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.9:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.997% * 98.2851% (0.67  10.0 10.00   3.99  89.92) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.93 +/- 3.21   0.003% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  24.69 +/- 2.54   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.51 +/- 2.48   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.06 +/- 1.54   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 +/- 1.39   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 = 89.9:
    * O T QG    GLN   90 - HB3   GLN   90   2.37 +/- 0.14  99.960% * 99.3855% (0.75  10.0 10.00   3.63  89.92) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.87 +/- 0.97   0.033% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  14.75 +/- 1.76   0.005% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.38 +/- 2.50   0.001% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  19.50 +/- 1.73   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.66 +/- 2.67   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.41 +/- 3.53   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  23.43 +/- 2.36   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.82 +/- 3.65   0.000% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 89.9:
    * O T HA    GLN   90 - QG    GLN   90   2.88 +/- 0.44  99.845% * 99.7400% (0.88  10.0 10.00   3.31  89.92) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.25 +/- 2.39   0.099% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  12.31 +/- 2.21   0.045% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.50 +/- 1.39   0.005% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.11 +/- 0.77   0.007% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 89.9:
    * O T HB2   GLN   90 - QG    GLN   90   2.40 +/- 0.13  99.773% * 97.8434% (0.72  10.0 10.00   3.63  89.92) =  99.997%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.71 +/- 3.16   0.226% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   GLU-  29 - QG    GLN   90  20.81 +/- 1.90   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  20.97 +/- 1.97   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.09 +/- 0.98   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.20 +/- 0.86   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 89.9:
    * O T HB3   GLN   90 - QG    GLN   90   2.37 +/- 0.14  99.322% * 98.5216% (0.75  10.0 10.00   3.63  89.92) =  99.999%  kept
          QB    LYS+  81 - QG    GLN   90   8.22 +/- 2.43   0.540% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   MET   92 - QG    GLN   90   8.32 +/- 0.98   0.085% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  10.43 +/- 2.54   0.042% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  14.65 +/- 1.69   0.002% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.78 +/- 2.23   0.003% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  15.52 +/- 2.49   0.002% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  16.33 +/- 1.89   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  17.30 +/- 1.64   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.69 +/- 2.48   0.001% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  20.18 +/- 1.30   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.48 +/- 0.88   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.05 +/- 1.78   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  99.974% * 98.3255% (1.00  10.0 10.00   2.28  12.95) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.44 +/- 1.70   0.023% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.91 +/- 1.79   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  17.29 +/- 1.44   0.000% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.65 +/- 0.83   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.05 +/- 1.75   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.27 +/- 0.39   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.82 +/- 1.78   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.02 +/- 0.74   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.83 +/- 1.42   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  97.221% * 99.0540% (1.00  10.0 10.00   2.28  12.95) =  99.999%  kept
          HA    ALA  110 - QB    ALA   91   7.87 +/- 2.66   2.636% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   91   9.39 +/- 2.20   0.031% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QB    ALA   91   9.26 +/- 2.27   0.038% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.20 +/- 0.34   0.069% *  0.0096% (0.10   1.0  1.00   0.02   1.94) =   0.000%
          HA    TRP   27 - QG2   THR   39  11.93 +/- 0.96   0.004% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.20 +/- 0.78   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  17.29 +/- 1.44   0.000% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.65 +/- 0.83   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.63 +/- 1.00   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.44 +/- 1.73   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.96 +/- 0.72   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  24.11 +/- 1.47   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.22 +/- 1.94   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.35 +/- 2.52   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.95 +/- 0.07 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.44) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HD2   PRO   93   3.90 +/- 0.13  84.607% * 99.2584% (0.73  10.0 10.00   5.40 132.44) =  99.993%  kept
          HG3   PRO   52 - HD2   PRO   93   7.08 +/- 2.94  13.268% *  0.0306% (0.22   1.0  1.00   0.02   0.42) =   0.005%
          HB    VAL  108 - HD2   PRO   93   8.54 +/- 1.90   1.576% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HD2   PRO   93  10.61 +/- 1.50   0.351% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.97 +/- 1.92   0.147% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  14.80 +/- 1.45   0.042% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  21.93 +/- 1.44   0.003% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.05 +/- 0.82   0.004% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.20 +/- 0.53   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  27.74 +/- 1.82   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  37.43 +/- 2.34   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.39 +/- 0.21  99.164% * 99.4388% (0.73  10.0 10.00   4.00 132.44) = 100.000%  kept
          HB3   PRO   52 - HD2   PRO   93   6.56 +/- 2.66   0.831% *  0.0307% (0.22   1.0  1.00   0.02   0.42) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.53 +/- 1.95   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  17.51 +/- 1.77   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.28 +/- 2.50   0.001% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  18.14 +/- 1.91   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.60 +/- 0.84   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  20.04 +/- 1.10   0.000% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.68 +/- 1.71   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  21.38 +/- 1.77   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.579% * 98.6805% (0.65  10.0 10.00   4.00 132.44) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.97 +/- 1.98   0.383% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.45 +/- 1.71   0.033% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.08 +/- 1.80   0.002% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.99 +/- 1.67   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  22.37 +/- 1.62   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.82 +/- 0.07  99.994% * 99.8223% (0.90  10.0 10.00   5.31 132.44) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  19.65 +/- 1.39   0.006% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.891, support = 5.36, residual support = 131.3:
    * O T HB2   PRO   93 - HD3   PRO   93   3.97 +/- 0.23  67.223% * 95.5112% (0.90  10.0 10.00   5.40 132.44) =  99.104%  kept
          HG3   PRO   52 - HD3   PRO   93   6.18 +/- 3.21  31.437% *  1.8330% (0.28   1.0  1.00   1.24   0.42) =   0.889%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.63 +/- 1.65   0.467% *  0.8285% (0.78   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93   9.69 +/- 1.48   0.405% *  0.0765% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  12.54 +/- 1.81   0.135% *  0.0295% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.09 +/- 1.82   0.068% *  0.0541% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  14.91 +/- 1.42   0.029% *  0.0638% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  12.70 +/- 3.71   0.141% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  19.06 +/- 1.45   0.006% *  0.1700% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  21.92 +/- 1.45   0.003% *  0.2656% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  20.78 +/- 2.60   0.007% *  0.0699% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  18.18 +/- 1.07   0.008% *  0.0473% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.08 +/- 3.20   0.024% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.15 +/- 1.45   0.002% *  0.1474% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  27.48 +/- 1.71   0.001% *  0.3585% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.13 +/- 0.79   0.003% *  0.0541% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.77 +/- 1.10   0.014% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.07 +/- 2.13   0.015% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.85 +/- 1.03   0.012% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  37.17 +/- 2.29   0.000% *  0.3927% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.80 +/- 0.49   0.001% *  0.0465% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  26.24 +/- 1.98   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.892, support = 3.97, residual support = 131.5:
    * O T HG2   PRO   93 - HD3   PRO   93   2.82 +/- 0.22  82.821% * 90.6985% (0.90  10.0 10.00   4.00 132.44) =  99.252%  kept
        T HB3   PRO   52 - HD3   PRO   93   5.82 +/- 2.79   6.623% *  8.5203% (0.28   1.0 10.00   0.61   0.42) =   0.746%  kept
          QB    LYS+  66 - HD3   PRO   68   4.59 +/- 0.87   9.081% *  0.0145% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HD3   PRO   68   7.42 +/- 1.07   0.441% *  0.0135% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  11.70 +/- 5.83   0.712% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.18 +/- 1.69   0.267% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.53 +/- 2.93   0.009% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.28 +/- 1.74   0.002% *  0.0758% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.55 +/- 1.64   0.002% *  0.0813% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.48 +/- 1.33   0.024% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  20.79 +/- 1.77   0.001% *  0.1614% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  16.26 +/- 2.60   0.005% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.80 +/- 1.20   0.007% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.88 +/- 1.63   0.001% *  0.0513% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  20.39 +/- 1.08   0.001% *  0.0659% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.32 +/- 0.72   0.000% *  0.0837% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.85 +/- 1.60   0.000% *  0.0726% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  17.43 +/- 2.02   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.00 +/- 1.59   0.001% *  0.0252% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  25.19 +/- 1.23   0.000% *  0.0498% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.998% * 99.5607% (0.65  10.0 10.00   4.00 132.44) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  11.51 +/- 1.45   0.002% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.85 +/- 0.99   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  22.37 +/- 1.62   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  22.13 +/- 0.85   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.55 +/- 0.92   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.63 +/- 0.19  99.308% * 99.2584% (1.00  10.0 10.00   5.98 132.44) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   8.59 +/- 2.52   0.454% *  0.0306% (0.31   1.0  1.00   0.02   0.42) =   0.000%
          HB    VAL  108 - HA    PRO   93   8.58 +/- 1.58   0.148% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  10.54 +/- 1.54   0.063% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  13.69 +/- 1.59   0.010% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.05 +/- 1.22   0.014% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  18.57 +/- 1.35   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.72 +/- 0.57   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.56 +/- 0.48   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.32 +/- 1.37   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  34.11 +/- 1.72   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  95.071% * 99.4388% (1.00  10.0 10.00   5.31 132.44) =  99.998%  kept
          HB3   PRO   52 - HA    PRO   93   8.36 +/- 2.08   4.757% *  0.0307% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          QB    LYS+  66 - HA    PRO   93  15.38 +/- 1.48   0.034% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.21 +/- 1.23   0.035% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  16.01 +/- 1.63   0.025% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.93 +/- 0.84   0.017% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  18.16 +/- 2.23   0.030% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  18.42 +/- 1.36   0.011% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.81 +/- 0.66   0.009% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  18.11 +/- 1.04   0.011% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.95 +/- 0.07  99.456% * 99.7770% (0.73  10.0 10.00   5.31 132.44) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   9.84 +/- 1.06   0.520% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  15.95 +/- 0.83   0.024% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HD3   PRO   93 - HA    PRO   93   3.82 +/- 0.07  80.885% * 98.6805% (0.90  10.0 10.00   5.31 132.44) =  99.975%  kept
          HB3   CYS   53 - HA    PRO   93   5.83 +/- 1.57  15.832% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.022%
          QB    PHE   55 - HA    PRO   93   8.10 +/- 1.43   2.131% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93   9.51 +/- 1.47   0.991% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  11.99 +/- 1.55   0.156% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  19.65 +/- 1.39   0.005% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.52 +/- 0.29  99.562% * 99.0260% (1.00  10.0 10.00   5.40 132.44) =  99.999%  kept
        T HB3   PRO   52 - HB2   PRO   93   8.33 +/- 2.39   0.182% *  0.3056% (0.31   1.0 10.00   0.02   0.42) =   0.001%
          HB2   LEU   71 - HG3   GLN   30   8.85 +/- 2.02   0.110% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   8.57 +/- 1.52   0.116% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.59 +/- 1.46   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.72 +/- 1.38   0.004% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.14 +/- 1.19   0.008% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.35 +/- 1.68   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.64 +/- 1.27   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.88 +/- 1.69   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  18.91 +/- 0.86   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  16.87 +/- 2.07   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.51 +/- 1.43   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  21.90 +/- 1.69   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.01 +/- 1.96   0.003% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.39 +/- 1.74   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  17.17 +/- 1.20   0.001% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.97 +/- 1.16   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  25.45 +/- 3.61   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.42 +/- 2.52   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   3.90 +/- 0.13  95.542% * 99.6822% (0.73  10.0 10.00   5.40 132.44) =  99.999%  kept
          HB2   TRP   27 - HG3   GLN   30   6.76 +/- 0.68   4.275% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB2   PRO   93  12.02 +/- 1.17   0.135% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  17.77 +/- 1.14   0.012% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.05 +/- 1.20   0.033% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  21.93 +/- 1.44   0.003% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 5.4, residual support = 132.4:
    * O T HD3   PRO   93 - HB2   PRO   93   3.97 +/- 0.23  76.956% * 97.4649% (0.90  10.0 10.00   5.40 132.44) =  99.968%  kept
          HB3   CYS   53 - HB2   PRO   93   6.51 +/- 2.27  15.452% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.022%
          QB    PHE   55 - HB2   PRO   93   7.27 +/- 1.90   5.478% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HD2   ARG+  54 - HB2   PRO   93  11.96 +/- 1.97   0.143% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   PRO   93   8.35 +/- 1.40   1.928% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   PRO   93  19.06 +/- 1.45   0.008% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  18.18 +/- 1.07   0.010% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  25.29 +/- 3.53   0.007% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  21.92 +/- 1.45   0.003% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  20.48 +/- 2.25   0.007% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.64 +/- 2.50   0.004% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.32 +/- 1.59   0.004% *  0.0045% (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 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   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.44) = 100.000%  kept
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.52 +/- 0.29  99.317% * 98.7141% (1.00  10.0 10.00   5.40 132.44) =  99.998%  kept
        T HG3   PRO   52 - HG2   PRO   93   8.16 +/- 3.03   0.453% *  0.3047% (0.31   1.0 10.00   0.02   0.42) =   0.001%
          HB    VAL  108 - HG2   PRO   93   8.11 +/- 1.25   0.158% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  11.40 +/- 1.76   0.028% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93  10.32 +/- 1.41   0.035% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  12.94 +/- 1.39   0.009% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  21.90 +/- 1.69   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.91 +/- 1.30   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.49 +/- 0.82   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.00 +/- 2.11   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.54 +/- 2.42   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.39 +/- 0.21  99.994% * 99.7770% (0.73  10.0 10.00   4.00 132.44) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  12.95 +/- 1.13   0.006% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.42 +/- 1.04   0.000% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HG2   PRO   93   2.82 +/- 0.22  96.779% * 98.6805% (0.90  10.0 10.00   4.00 132.44) =  99.997%  kept
          QB    PHE   55 - HG2   PRO   93   6.63 +/- 2.03   1.824% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HG2   PRO   93   7.15 +/- 1.98   1.245% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   93   9.20 +/- 1.62   0.125% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.89 +/- 1.73   0.026% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  20.79 +/- 1.77   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.05 +/- 0.03  99.839% * 99.2375% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          QB    SER  117 - HA    THR   94  10.95 +/- 1.28   0.064% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.16 +/- 1.20   0.019% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  13.26 +/- 1.30   0.017% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.80 +/- 1.52   0.038% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.72 +/- 1.24   0.009% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.16 +/- 1.51   0.005% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.19 +/- 1.82   0.006% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  17.99 +/- 1.19   0.003% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  20.87 +/- 1.14   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.36 +/- 0.18  99.972% * 99.7175% (1.00  10.0 10.00   2.95  25.28) = 100.000%  kept
          HD2   LYS+ 112 - HA    THR   94  13.32 +/- 1.99   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  12.79 +/- 1.42   0.005% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.04 +/- 1.66   0.012% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.01 +/- 1.65   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.05 +/- 0.03  99.826% * 99.9751% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   8.93 +/- 0.59   0.174% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.990% * 99.7175% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.37 +/- 1.90   0.006% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.24 +/- 1.69   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.56 +/- 2.14   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.80 +/- 1.43   0.001% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.36 +/- 0.18  99.934% * 99.9751% (1.00  10.0 10.00   2.95  25.28) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   8.55 +/- 0.65   0.066% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.952% * 99.2375% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   9.29 +/- 1.63   0.021% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.13 +/- 1.08   0.007% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.45 +/- 1.16   0.010% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.18 +/- 1.17   0.006% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.82 +/- 0.92   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.01 +/- 1.36   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.60 +/- 1.64   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.35 +/- 0.99   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.29 +/- 0.93   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.05 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.53 +/- 0.12  99.995% * 99.8670% (1.00  10.0 10.00   4.00  73.52) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  14.32 +/- 1.81   0.004% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.25 +/- 0.58   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.05 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.998% * 99.8670% (1.00  10.0 10.00   3.31  73.52) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.86 +/- 1.74   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  23.15 +/- 0.55   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.53 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.52) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.52) = 100.000%  kept
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HA    MET   96   2.97 +/- 0.15  95.261% * 99.6213% (0.98  10.0 10.00   5.00 115.52) =  99.998%  kept
          HB2   ASP- 105 - HA    MET   96   6.10 +/- 1.13   4.707% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    MET   96  12.75 +/- 0.81   0.017% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.46 +/- 0.76   0.005% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  15.84 +/- 0.92   0.005% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.63 +/- 0.61   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.45 +/- 0.67   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HA    MET   96   2.75 +/- 0.15  99.979% * 99.7402% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.62 +/- 0.77   0.020% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.33 +/- 1.74   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.96 +/- 1.36   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.50 +/- 1.71   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HA    MET   96   2.96 +/- 0.52  99.994% * 99.6261% (0.98  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  17.13 +/- 2.77   0.006% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HA    MET   96   2.53 +/- 0.44  99.790% * 99.7437% (0.59  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   8.20 +/- 2.39   0.204% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.64 +/- 1.69   0.003% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.64 +/- 1.04   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  21.21 +/- 1.53   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB2   MET   96   2.97 +/- 0.15  99.826% * 99.9773% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.76 +/- 0.54   0.174% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 99.7402% (1.00  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.38 +/- 0.79   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.53 +/- 1.62   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.96 +/- 1.81   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.14 +/- 1.95   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB2   MET   96   2.64 +/- 0.32  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  18.03 +/- 2.69   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB2   MET   96   2.74 +/- 0.28  99.317% * 99.7437% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   7.33 +/- 2.11   0.678% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  19.18 +/- 1.60   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  16.75 +/- 0.92   0.002% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.85 +/- 1.65   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB3   MET   96   2.75 +/- 0.15  99.915% * 99.9773% (0.98  10.0 10.00   5.00 115.52) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.57 +/- 0.79   0.085% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.981% * 99.6213% (1.00  10.0 10.00   5.00 115.52) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.68 +/- 1.23   0.018% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.57 +/- 0.83   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.66 +/- 1.06   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.99 +/- 0.81   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.35 +/- 0.91   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.06 +/- 0.94   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB3   MET   96   2.78 +/- 0.24  99.996% * 99.6261% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.91 +/- 2.81   0.004% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB3   MET   96   2.86 +/- 0.18  98.292% * 99.7437% (0.61  10.0 10.00   4.44 115.52) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   6.50 +/- 2.35   1.702% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  20.47 +/- 1.49   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  16.65 +/- 0.89   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.41 +/- 1.90   0.002% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG2   MET   96   2.96 +/- 0.52  99.908% * 99.6779% (0.98  10.0 10.00   4.44 115.52) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.56 +/- 0.77   0.084% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  17.13 +/- 2.77   0.006% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.20 +/- 2.52   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG2   MET   96   2.64 +/- 0.32  99.388% * 99.2205% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.04 +/- 1.29   0.585% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  18.03 +/- 2.69   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.67 +/- 0.96   0.007% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.35 +/- 0.79   0.005% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  15.89 +/- 1.42   0.003% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  17.57 +/- 0.95   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.03 +/- 2.65   0.005% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.02 +/- 1.24   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.14 +/- 2.49   0.001% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.69 +/- 1.79   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  24.20 +/- 2.12   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.34 +/- 2.88   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  31.63 +/- 2.61   0.000% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG2   MET   96   2.78 +/- 0.24  99.379% * 99.3732% (1.00  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.94 +/- 0.81   0.591% *  0.0073% (0.07   1.0  1.00   0.02   1.75) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.68 +/- 0.91   0.025% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.91 +/- 2.81   0.004% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.32 +/- 1.37   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.36 +/- 1.97   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  26.30 +/- 2.49   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.70 +/- 1.94   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.66 +/- 2.96   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  38.89 +/- 2.55   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.936% * 99.2819% (0.61  10.0 10.00   4.00 115.52) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   7.57 +/- 2.79   0.063% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  18.80 +/- 2.88   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  16.18 +/- 1.29   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.79 +/- 1.66   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.34 +/- 2.28   0.000% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  18.11 +/- 1.02   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.40 +/- 2.02   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.24 +/- 2.68   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.00 +/- 2.97   0.000% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG3   MET   96   2.53 +/- 0.44  99.968% * 99.9773% (0.59  10.0 10.00   4.44 115.52) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.82 +/- 0.60   0.032% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG3   MET   96   2.74 +/- 0.28  99.514% * 99.6213% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.64 +/- 1.18   0.469% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.77 +/- 0.83   0.007% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.64 +/- 0.82   0.005% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.13 +/- 1.17   0.003% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.74 +/- 0.83   0.002% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.53 +/- 1.01   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG3   MET   96   2.86 +/- 0.18  99.974% * 99.7402% (0.61  10.0 10.00   4.44 115.52) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.87 +/- 0.83   0.025% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  23.62 +/- 1.63   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.25 +/- 1.87   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  32.05 +/- 1.81   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.52) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.80 +/- 2.88   0.000% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HB2   PHE   97 - HA    PHE   97   2.97 +/- 0.18  99.105% * 99.7149% (1.00  10.0 10.00   2.89  62.58) =  99.999%  kept
          QE    LYS+ 106 - HA    PHE   97   7.94 +/- 0.95   0.370% *  0.0724% (0.73   1.0  1.00   0.02   8.73) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.62 +/- 0.67   0.450% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.82 +/- 2.03   0.050% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  13.09 +/- 0.78   0.015% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.16 +/- 1.30   0.010% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.65 +/- 0.19  99.975% * 99.7224% (0.95  10.0 10.00   3.44  62.58) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.12 +/- 0.41   0.021% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.25 +/- 2.08   0.002% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  18.51 +/- 1.51   0.001% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  18.07 +/- 0.94   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   2.97 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.58) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.58) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.51 +/- 0.70   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  15.07 +/- 2.50   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  18.96 +/- 2.00   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  20.06 +/- 0.93   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HA    PHE   97 - HB3   PHE   97   2.65 +/- 0.19 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.58) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.920% * 99.7149% (0.95  10.0 10.00   3.31  62.58) = 100.000%  kept
          QE    LYS+  99 - HB3   PHE   97   6.88 +/- 1.48   0.053% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB3   PHE   97   7.57 +/- 1.24   0.026% *  0.0724% (0.69   1.0  1.00   0.02   8.73) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.72 +/- 2.33   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  15.46 +/- 0.74   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.39 +/- 1.75   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 83.1:
    * O T QB    LEU   98 - HA    LEU   98   2.27 +/- 0.12  99.906% * 99.2568% (0.87  10.0 10.00   4.97  83.10) = 100.000%  kept
          HB    VAL   42 - HA    LEU   98   8.15 +/- 0.80   0.063% *  0.0226% (0.20   1.0  1.00   0.02   0.45) =   0.000%
          HD3   LYS+ 121 - HA    LEU   98  13.55 +/- 5.42   0.008% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  11.09 +/- 1.18   0.010% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  14.09 +/- 1.41   0.002% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.03 +/- 0.75   0.001% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  13.17 +/- 1.58   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  16.99 +/- 1.51   0.001% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  13.88 +/- 1.46   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.36 +/- 1.41   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.37 +/- 1.60   0.001% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.39 +/- 0.77   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.59 +/- 1.60   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.94 +/- 1.01   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.992, support = 4.96, residual support = 82.2:
    *   T QD1   LEU   98 - HA    LEU   98   2.74 +/- 0.51  81.491% * 95.0559% (1.00 10.00   4.97  83.10) =  98.846%  kept
          QD2   LEU  104 - HA    LEU   98   4.16 +/- 0.94  18.490% *  4.8896% (0.31  1.00   3.33   6.13) =   1.154%  kept
          QG2   ILE   19 - HA    LEU   98  12.98 +/- 1.08   0.010% *  0.0357% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.14 +/- 1.31   0.009% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.36, residual support = 82.5:
    *   T QD2   LEU   98 - HA    LEU   98   3.72 +/- 0.33  86.688% * 93.2439% (1.00 10.00   4.39  83.10) =  99.075%  kept
          QG2   VAL   41 - HA    LEU   98   5.58 +/- 1.36  13.042% *  5.7853% (0.95  1.00   1.31  18.27) =   0.925%  kept
        T QD1   LEU   80 - HA    LEU   98  15.15 +/- 1.24   0.023% *  0.9324% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98  10.96 +/- 1.91   0.247% *  0.0383% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 83.1:
    * O T HA    LEU   98 - QB    LEU   98   2.27 +/- 0.12 100.000% *100.0000% (0.87  10.0 10.00   4.97  83.10) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 83.1:
    * O T QD1   LEU   98 - QB    LEU   98   2.17 +/- 0.18  99.224% * 99.3996% (0.87  10.0 10.00   4.00  83.10) = 100.000%  kept
          QD2   LEU  104 - QB    LEU   98   5.30 +/- 0.81   0.748% *  0.0307% (0.27   1.0  1.00   0.02   6.13) =   0.000%
        T QG2   ILE   19 - QB    LEU   98  10.14 +/- 1.18   0.014% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  10.39 +/- 1.30   0.015% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 3.33, residual support = 74.1:
    * O T QD2   LEU   98 - QB    LEU   98   2.08 +/- 0.13  85.387% * 51.1151% (0.87  10.0 10.00   3.44  83.10) =  86.077%  kept
        T QG2   VAL   41 - QB    LEU   98   3.26 +/- 1.52  14.600% * 48.3528% (0.82   1.0 10.00   2.62  18.27) =  13.923%  kept
        T QD1   LEU   80 - QB    LEU   98  12.21 +/- 1.11   0.002% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98  10.10 +/- 1.65   0.011% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.97, residual support = 83.1:
    *   T HA    LEU   98 - QD1   LEU   98   2.74 +/- 0.51 100.000% *100.0000% (1.00 10.00   4.97  83.10) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 83.1:
    * O T QB    LEU   98 - QD1   LEU   98   2.17 +/- 0.18  99.780% * 98.1517% (0.87  10.0 10.00   4.00  83.10) = 100.000%  kept
        T HG12  ILE   19 - QD1   LEU   98  11.99 +/- 1.16   0.005% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   98   7.96 +/- 0.90   0.148% *  0.0224% (0.20   1.0  1.00   0.02   0.45) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  13.12 +/- 1.62   0.003% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  13.05 +/- 4.39   0.010% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.08 +/- 1.18   0.031% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.84 +/- 1.84   0.004% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.17 +/- 1.19   0.003% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.32 +/- 1.23   0.006% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  14.02 +/- 1.84   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.56 +/- 1.24   0.004% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.44 +/- 1.01   0.002% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.48 +/- 1.74   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.85 +/- 1.14   0.000% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 83.1:
    * O T QD2   LEU   98 - QD1   LEU   98   2.05 +/- 0.08  98.664% * 98.8770% (1.00  10.0 10.00   2.93  83.10) =  99.999%  kept
          QG2   VAL   41 - QD1   LEU   98   4.67 +/- 1.09   1.321% *  0.0935% (0.95   1.0  1.00   0.02  18.27) =   0.001%
        T QD1   LEU   80 - QD1   LEU   98  11.63 +/- 1.44   0.004% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98  10.38 +/- 1.74   0.010% *  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 = 83.1:
    *   T HA    LEU   98 - QD2   LEU   98   3.72 +/- 0.33  99.973% * 99.4301% (1.00 10.00   4.39  83.10) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  15.15 +/- 1.24   0.027% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.7, support = 3.7, residual support = 82.7:
    * O T QB    LEU   98 - QD2   LEU   98   2.08 +/- 0.13  41.937% * 50.3539% (0.87  10.0 10.00   3.44  83.10) =  62.839%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.44 +/- 0.33  19.638% * 32.1120% (0.55  10.0 10.00   4.31  82.10) =  18.766%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.02  38.167% * 16.1964% (0.28  10.0  1.00   3.94  82.10) =  18.395%  kept
        T HB2   LEU   80 - QD2   LEU   98  11.28 +/- 1.59   0.002% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.28 +/- 1.08   0.109% *  0.0115% (0.20   1.0  1.00   0.02   0.45) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   7.20 +/- 1.12   0.037% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   6.78 +/- 1.24   0.068% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  12.21 +/- 1.11   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98   9.77 +/- 1.19   0.006% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  10.99 +/- 1.23   0.002% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  13.36 +/- 4.07   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98   9.64 +/- 1.15   0.005% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.22 +/- 1.13   0.015% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.48 +/- 1.48   0.002% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  11.17 +/- 0.94   0.002% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.56 +/- 1.76   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.22 +/- 1.31   0.002% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.03 +/- 1.08   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.16 +/- 2.12   0.001% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.12 +/- 1.48   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.96 +/- 1.56   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  13.40 +/- 1.22   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.11 +/- 1.27   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.21 +/- 1.27   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  18.34 +/- 1.41   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.51 +/- 2.85   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.38 +/- 1.33   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  18.11 +/- 1.82   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 83.1:
    * O T QD1   LEU   98 - QD2   LEU   98   2.05 +/- 0.08  99.671% * 98.8641% (1.00  10.0 10.00   2.93  83.10) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.29 +/- 0.97   0.211% *  0.3051% (0.31   1.0 10.00   0.02   6.13) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80  11.63 +/- 1.44   0.004% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   8.77 +/- 1.06   0.030% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   7.61 +/- 0.79   0.049% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.22 +/- 1.07   0.022% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80   9.49 +/- 0.87   0.012% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  15.99 +/- 1.03   0.001% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.8:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.09 +/- 0.44  97.045% * 98.7502% (1.00  10.0 10.00   6.44 171.80) =  99.995%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.34 +/- 1.89   0.992% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HA    LYS+  99   6.60 +/- 1.18   1.835% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99  10.34 +/- 1.19   0.099% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  17.67 +/- 1.02   0.004% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  14.38 +/- 1.43   0.014% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.35 +/- 1.09   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  19.20 +/- 1.22   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.96 +/- 1.60   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.47 +/- 2.35   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.616, support = 5.81, residual support = 171.8:
      O T HB3   LYS+  99 - HA    LYS+  99   2.66 +/- 0.30  81.910% * 28.6795% (0.41  10.0 10.00   5.80 171.80) =  65.289%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.80 +/- 0.72  17.903% * 69.7607% (1.00   1.0 10.00   5.82 171.80) =  34.711%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.61 +/- 1.13   0.021% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.06 +/- 0.95   0.152% *  0.0155% (0.22   1.0  1.00   0.02   1.96) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  18.73 +/- 5.54   0.003% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.57 +/- 0.67   0.009% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  18.33 +/- 1.31   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.64 +/- 2.16   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.99 +/- 0.62   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.18 +/- 0.86   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 171.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.84 +/- 0.41  96.539% * 98.5233% (1.00  10.0 10.00   7.06 171.80) =  99.997%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.63 +/- 1.12   0.198% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  99   5.91 +/- 1.14   3.189% *  0.0219% (0.22   1.0  1.00   0.02  19.05) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.12 +/- 1.23   0.040% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  16.59 +/- 5.71   0.012% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  15.30 +/- 1.14   0.005% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.97 +/- 0.74   0.006% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.06 +/- 1.16   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.23 +/- 0.97   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.17 +/- 1.21   0.003% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.13 +/- 2.76   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.48 +/- 0.81   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 171.8:
    *   T QE    LYS+  99 - HA    LYS+  99   3.81 +/- 0.27  94.963% * 98.3577% (1.00 10.00   5.26 171.80) =  99.973%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.10 +/- 1.16   2.427% *  0.6756% (0.69 10.00   0.02   1.96) =   0.018%
        T QE    LYS+  38 - HA    LYS+  99   8.78 +/- 1.25   0.947% *  0.8821% (0.90 10.00   0.02   0.02) =   0.009%
          HB2   PHE   97 - HA    LYS+  99   7.65 +/- 0.48   1.637% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  15.63 +/- 1.04   0.026% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 171.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.79 +/- 0.29  94.240% * 99.5483% (1.00  10.0 10.00   7.00 171.80) =  99.998%  kept
          HA    LEU   40 - HB2   LYS+  99   4.86 +/- 1.22   5.702% *  0.0248% (0.25   1.0  1.00   0.02  12.23) =   0.002%
          HA    ASN   35 - HB2   LYS+  99  10.60 +/- 1.25   0.047% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  16.95 +/- 6.28   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.55 +/- 1.88   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.75 +/- 1.98   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.53 +/- 1.58   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  19.56 +/- 1.39   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.37 +/- 1.44   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.56 +/- 1.98   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.8:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.57 +/- 0.24  99.728% * 98.7502% (1.00  10.0 10.00   6.44 171.80) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.93 +/- 1.84   0.076% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.17 +/- 1.15   0.136% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.24 +/- 1.93   0.053% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  18.06 +/- 1.35   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  16.26 +/- 1.68   0.002% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  18.54 +/- 1.22   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.06 +/- 1.35   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.79 +/- 1.60   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.51 +/- 2.34   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.523, support = 4.83, residual support = 171.8:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  91.159% * 29.0322% (0.41  10.0   4.62 171.80) =  80.968%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.68 +/- 0.32   8.809% * 70.6187% (1.00  10.0   5.69 171.80) =  19.032%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.61 +/- 1.44   0.029% *  0.0157% (0.22   1.0   0.02   1.96) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.64 +/- 1.00   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.33 +/- 0.74   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  17.53 +/- 5.62   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.05 +/- 1.45   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.51 +/- 2.25   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.95 +/- 0.84   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.99 +/- 1.03   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 171.8:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.88 +/- 0.25  99.004% * 99.3871% (1.00  10.0   7.06 171.80) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   6.82 +/- 0.79   0.874% *  0.0221% (0.22   1.0   0.02  19.05) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.35 +/- 1.02   0.064% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.31 +/- 1.33   0.016% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  15.72 +/- 5.73   0.022% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  15.25 +/- 1.29   0.006% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  17.08 +/- 1.34   0.003% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.54 +/- 0.84   0.005% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.76 +/- 1.26   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.09 +/- 2.76   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  20.62 +/- 1.31   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.16 +/- 1.13   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 171.8:
    *     QE    LYS+  99 - HB2   LYS+  99   3.26 +/- 0.82  94.319% * 99.0418% (1.00   5.05 171.80) =  99.987%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.71 +/- 1.32   2.212% *  0.2694% (0.69   0.02   1.96) =   0.006%
          HB2   PHE   97 - HB2   LYS+  99   6.70 +/- 0.58   3.198% *  0.1612% (0.41   0.02   0.02) =   0.006%
          QE    LYS+  38 - HB2   LYS+  99   9.89 +/- 1.23   0.264% *  0.3517% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  17.45 +/- 1.14   0.007% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.8:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.09 +/- 0.44  74.121% * 97.9094% (1.00  10.0 10.00   6.44 171.80) =  99.993%  kept
          HA    LEU   40 - HG3   LYS+  99   4.73 +/- 1.29  10.581% *  0.0244% (0.25   1.0  1.00   0.02  12.23) =   0.004%
          HA    ASN   35 - HG3   LYS+  38   4.80 +/- 1.06  14.028% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.34 +/- 1.89   0.660% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG3   LYS+  99   9.66 +/- 1.29   0.170% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  17.66 +/- 6.33   0.013% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  17.67 +/- 1.02   0.003% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.01 +/- 0.80   0.397% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  24.45 +/- 1.65   0.000% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.52 +/- 2.09   0.003% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  19.88 +/- 2.47   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.38 +/- 1.69   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.30 +/- 1.69   0.003% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  20.91 +/- 0.94   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.95 +/- 0.84   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.95 +/- 1.27   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  19.01 +/- 1.60   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.52 +/- 2.54   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.79 +/- 2.40   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  29.78 +/- 1.56   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.74 +/- 1.99   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  23.44 +/- 6.75   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.65 +/- 1.35   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  17.05 +/- 2.13   0.004% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  22.81 +/- 2.14   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.48 +/- 3.67   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.19 +/- 1.85   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.22 +/- 2.65   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  26.31 +/- 1.18   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  28.14 +/- 1.22   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.931, support = 4.59, residual support = 175.3:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.67 +/- 0.50  52.704% * 89.0505% (1.00  10.0 10.00   4.62 171.80) =  92.360%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.73 +/- 0.34  46.555% *  8.3338% (0.09  10.0 10.00   4.27 218.26) =   7.635%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   8.47 +/- 1.50   0.238% *  0.6117% (0.69   1.0 10.00   0.02   1.96) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  99   8.35 +/- 1.51   0.103% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+  38   8.45 +/- 1.90   0.184% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  10.96 +/- 3.15   0.151% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   8.91 +/- 0.75   0.044% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  15.86 +/- 2.69   0.003% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  18.20 +/- 1.25   0.001% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  11.24 +/- 1.21   0.011% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  13.35 +/- 1.41   0.004% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  22.61 +/- 1.17   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.46 +/- 1.19   0.000% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.48 +/- 1.78   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.94 +/- 1.09   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 171.6:
    *   T HA    LYS+  99 - QD    LYS+  99   3.80 +/- 0.72  74.397% * 95.3731% (1.00 10.00   5.82 171.80) =  99.894%  kept
          HA    LEU   40 - QD    LYS+  99   4.94 +/- 1.63  24.563% *  0.2919% (0.25  1.00   0.25  12.23) =   0.101%
        T HA    LEU  123 - QD    LYS+  99  14.81 +/- 6.20   0.190% *  0.8273% (0.87 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QD    LYS+ 106  11.61 +/- 1.13   0.193% *  0.7679% (0.81 10.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD    LYS+  99   9.89 +/- 1.60   0.268% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+ 106  15.33 +/- 2.01   0.031% *  0.7264% (0.76 10.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  16.41 +/- 2.45   0.025% *  0.6661% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.29 +/- 1.55   0.107% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  21.26 +/- 1.64   0.004% *  0.9022% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.59 +/- 1.10   0.107% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.34 +/- 1.58   0.017% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.80 +/- 1.24   0.033% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  20.02 +/- 1.98   0.006% *  0.0797% (0.84  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.62 +/- 1.54   0.022% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  18.04 +/- 1.53   0.010% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.51 +/- 1.06   0.011% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.68 +/- 2.08   0.006% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.59 +/- 1.33   0.004% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  20.59 +/- 1.30   0.005% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.24 +/- 2.02   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.8:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.34 +/- 0.16  99.437% * 97.4178% (1.00  10.0  1.00   5.85 171.80) =  99.999%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  11.32 +/- 2.67   0.052% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   9.35 +/- 3.16   0.109% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.89 +/- 1.47   0.057% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.60 +/- 1.92   0.164% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.19 +/- 0.75   0.079% *  0.0217% (0.22   1.0  1.00   0.02  19.05) =   0.000%
          QB    ALA  124 - QD    LYS+  99  13.37 +/- 5.82   0.035% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  10.99 +/- 1.28   0.014% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  12.73 +/- 1.10   0.005% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.26 +/- 1.64   0.004% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.38 +/- 1.83   0.013% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.95 +/- 2.64   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.84 +/- 1.23   0.005% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.90 +/- 2.61   0.013% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  14.22 +/- 1.51   0.003% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.62 +/- 2.01   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.74 +/- 2.45   0.002% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.24 +/- 0.72   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  16.87 +/- 1.32   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.57 +/- 1.32   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.18 +/- 1.92   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.37 +/- 1.31   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.24 +/- 1.39   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  17.82 +/- 1.19   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.8:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.37 +/- 0.15  99.024% * 94.6730% (1.00  10.0 10.00   5.27 171.80) =  99.998%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.47 +/- 2.08   0.243% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+ 106  10.03 +/- 3.36   0.170% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  99   6.95 +/- 1.65   0.400% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.85 +/- 2.31   0.025% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.16 +/- 2.16   0.063% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.54 +/- 1.09   0.006% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  11.15 +/- 1.83   0.018% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.01 +/- 2.57   0.038% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  14.83 +/- 1.45   0.002% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  17.90 +/- 1.18   0.001% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  18.06 +/- 1.28   0.001% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.87 +/- 1.42   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.19 +/- 1.65   0.002% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.26 +/- 1.81   0.001% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.04 +/- 1.02   0.003% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.89 +/- 1.95   0.002% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.31 +/- 2.33   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  17.78 +/- 1.36   0.001% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.49 +/- 1.36   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 171.8:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.566% * 96.3213% (1.00  10.0 10.00   4.00 171.80) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   8.30 +/- 1.51   0.060% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  99   8.38 +/- 1.36   0.043% *  0.6616% (0.69   1.0 10.00   0.02   1.96) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.24 +/- 0.90   0.252% *  0.0319% (0.33   1.0  1.00   0.02   8.73) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.75 +/- 1.45   0.015% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.26 +/- 1.42   0.006% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.58 +/- 0.74   0.055% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.22 +/- 1.47   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.64 +/- 1.91   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.15 +/- 1.48   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.987, support = 5.2, residual support = 169.1:
    *   T HA    LYS+  99 - QE    LYS+  99   3.81 +/- 0.27  51.344% * 95.9229% (1.00 10.00   5.26 171.80) =  98.338%  kept
          HA    LEU   40 - QE    LYS+  99   4.33 +/- 1.19  35.111% *  2.3386% (0.25  1.00   1.96  12.23) =   1.639%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.10 +/- 1.16   1.051% *  0.6542% (0.68 10.00   0.02   1.96) =   0.014%
          HA    ASN   35 - QE    LYS+  38   5.58 +/- 1.18   8.854% *  0.0250% (0.26  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - QE    LYS+  38   8.78 +/- 1.25   0.461% *  0.2588% (0.27 10.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QE    LYS+ 102   9.74 +/- 1.83   1.560% *  0.0163% (0.17  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  99  13.89 +/- 6.39   0.305% *  0.0832% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+  99   9.86 +/- 1.19   0.225% *  0.0926% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  10.68 +/- 2.37   0.283% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.64 +/- 1.12   0.668% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  20.77 +/- 5.29   0.047% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  14.34 +/- 1.44   0.022% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.69 +/- 2.26   0.003% *  0.0801% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  20.56 +/- 2.03   0.002% *  0.0907% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  21.92 +/- 6.83   0.009% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  17.15 +/- 1.74   0.007% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.34 +/- 1.82   0.002% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.40 +/- 1.80   0.005% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  24.08 +/- 2.25   0.001% *  0.0619% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.65 +/- 2.60   0.016% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.61 +/- 1.47   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.67 +/- 3.48   0.011% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  20.91 +/- 2.30   0.004% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  22.25 +/- 1.51   0.001% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.21 +/- 3.05   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  28.03 +/- 2.86   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.97 +/- 2.20   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.71 +/- 1.67   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.82 +/- 1.98   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.55 +/- 2.12   0.001% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.461, support = 4.11, residual support = 171.8:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  87.255% * 59.3752% (0.41  10.0 10.00   4.00 171.80) =  91.504%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.18 +/- 0.58  12.555% * 38.3098% (1.00   1.0  1.00   5.31 171.80) =   8.495%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.38 +/- 1.36   0.037% *  0.4049% (0.28   1.0 10.00   0.02   1.96) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.30 +/- 1.51   0.056% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.03 +/- 1.43   0.063% *  0.0985% (0.68   1.0  1.00   0.02   1.96) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.75 +/- 1.45   0.013% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.26 +/- 1.42   0.006% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.95 +/- 1.28   0.011% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.44 +/- 1.53   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.22 +/- 1.47   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.52 +/- 0.75   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  17.47 +/- 2.63   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.36 +/- 1.83   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  19.53 +/- 1.17   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  15.74 +/- 1.62   0.001% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.39 +/- 0.91   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.11 +/- 1.92   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  23.90 +/- 1.06   0.000% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.926, support = 4.59, residual support = 175.6:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.67 +/- 0.50  52.167% * 88.1476% (1.00  10.0 10.00   4.62 171.80) =  91.813%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.73 +/- 0.34  45.903% *  8.9252% (0.10  10.0 10.00   4.27 218.26) =   8.180%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.47 +/- 1.50   0.235% *  0.6011% (0.68   1.0 10.00   0.02   1.96) =   0.003%
        T HG3   LYS+  38 - QE    LYS+  99   8.45 +/- 1.90   0.181% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  99   5.97 +/- 1.66   0.963% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+ 102  10.96 +/- 3.15   0.150% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.35 +/- 1.51   0.102% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.37 +/- 1.32   0.229% *  0.0154% (0.17   1.0  1.00   0.02  22.82) =   0.000%
          HG    LEU   71 - QE    LYS+  99  10.14 +/- 1.83   0.023% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  11.62 +/- 1.89   0.025% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  15.86 +/- 2.69   0.003% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.16 +/- 1.49   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  18.20 +/- 1.25   0.001% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.21 +/- 1.70   0.008% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.77 +/- 2.01   0.002% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.23 +/- 1.25   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.34 +/- 2.23   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  18.82 +/- 2.09   0.001% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.50 +/- 1.34   0.001% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.55 +/- 1.58   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.39 +/- 1.74   0.001% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  16.67 +/- 1.67   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.61 +/- 1.17   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.14 +/- 2.54   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.55 +/- 1.89   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  21.62 +/- 1.06   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.96 +/- 2.10   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.44 +/- 1.35   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.35 +/- 1.89   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.87 +/- 2.73   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   3.01 +/- 0.07  96.877% * 99.1823% (1.00  10.0 10.00   4.26  75.71) =  99.998%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.16 +/- 2.02   2.860% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  10.97 +/- 0.69   0.045% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.65 +/- 1.50   0.071% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.17 +/- 0.37   0.127% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.21 +/- 1.25   0.017% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  27.67 +/- 1.48   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.04 +/- 1.65   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.79 +/- 2.53   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  27.99 +/- 1.11   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.02 +/- 0.82   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.31 +/- 2.66   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.51 +/- 0.17  95.406% * 99.2716% (1.00  10.0 10.00   4.26  75.71) =  99.997%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.30 +/- 2.30   4.540% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - HA    GLU- 100  12.30 +/- 1.77   0.012% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.25 +/- 1.61   0.005% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.22 +/- 0.78   0.014% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.02 +/- 1.54   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.32 +/- 1.97   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.91 +/- 0.79   0.006% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  22.54 +/- 3.93   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.75 +/- 0.75   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.01 +/- 1.63   0.008% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.72 +/- 1.47   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.39 +/- 0.81   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.59 +/- 1.53   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.21 +/- 1.99   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.32 +/- 2.03   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.74 +/- 3.89   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.18 +/- 1.27   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.35 +/- 0.98   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.92 +/- 1.15   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.02 +/- 1.86   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.32 +/- 2.15   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.94 +/- 0.27  74.414% * 99.4988% (1.00  10.0 10.00   4.72  75.71) =  99.979%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.59 +/- 2.44  25.502% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.021%
          HB2   MET   96 - HA    GLU- 100  12.80 +/- 0.80   0.012% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.07 +/- 1.52   0.020% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  14.88 +/- 1.04   0.005% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.34 +/- 1.64   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.57 +/- 0.93   0.026% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.29 +/- 1.57   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  23.60 +/- 1.66   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.72 +/- 1.03   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.74 +/- 1.71   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.21 +/- 1.45   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.91 +/- 0.49   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  28.31 +/- 0.67   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.91 +/- 1.64   0.003% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  23.77 +/- 1.01   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.81 +/- 0.54   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.68 +/- 0.78   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.07 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   3.01 +/- 0.07  97.131% * 98.6741% (1.00  10.0 10.00   4.26  75.71) =  99.993%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.16 +/- 2.02   2.867% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.007%
        T HD2   PRO   58 - HB2   GLU- 100  28.58 +/- 1.10   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  21.62 +/- 2.90   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.24 +/- 1.31   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.71) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.55 +/- 1.49   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.57 +/- 1.87   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.60 +/- 2.33   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.26 +/- 1.59   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  22.39 +/- 3.84   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.87 +/- 0.93   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.04 +/- 0.93   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.20 +/- 1.16   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.03 +/- 1.86   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.16 +/- 1.78   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.97 +/- 0.11  99.956% * 99.5837% (1.00  10.0 10.00   3.24  75.71) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.71 +/- 0.82   0.011% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.47 +/- 0.91   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  12.78 +/- 1.36   0.020% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.73 +/- 1.94   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.59 +/- 1.42   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  25.37 +/- 1.46   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.06 +/- 1.95   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  29.13 +/- 0.79   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.31 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   2.51 +/- 0.17  95.457% * 99.5406% (1.00  10.0 10.00   4.26  75.71) =  99.989%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.30 +/- 2.30   4.543% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          HA    VAL   83 - HB3   GLU- 100  21.85 +/- 2.79   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  29.25 +/- 1.64   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.84 +/- 1.56   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.71) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.91 +/- 0.73   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.96 +/- 1.94   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.76 +/- 1.82   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.50 +/- 2.70   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.89 +/- 1.59   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.38 +/- 0.12  99.990% * 99.0882% (1.00  10.0 10.00   3.24  75.71) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  13.06 +/- 1.73   0.005% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.37 +/- 0.73   0.002% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.58 +/- 0.89   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  19.56 +/- 1.40   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.18 +/- 1.88   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  25.50 +/- 1.59   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.62 +/- 1.89   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  29.85 +/- 0.64   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.6:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.94 +/- 0.27  74.483% * 99.5406% (1.00  10.0 10.00   4.72  75.71) =  99.924%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.59 +/- 2.44  25.517% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.076%
          HA    VAL   83 - HG2   GLU- 100  22.42 +/- 2.84   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  28.81 +/- 1.47   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.70 +/- 1.42   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.97 +/- 0.11  99.936% * 99.6840% (1.00  10.0 10.00   3.24  75.71) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.95 +/- 1.13   0.030% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  12.10 +/- 1.75   0.034% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  26.36 +/- 2.56   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.92 +/- 1.63   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  28.30 +/- 1.44   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.18 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   2.38 +/- 0.12  99.991% * 98.4783% (1.00  10.0 10.00   3.24  75.71) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  16.61 +/- 2.65   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  14.91 +/- 1.63   0.002% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.99 +/- 1.45   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  15.91 +/- 1.47   0.001% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.30 +/- 1.56   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  22.97 +/- 3.91   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.21 +/- 1.03   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.85 +/- 0.86   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.23 +/- 2.07   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.55 +/- 1.96   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  20.26 +/- 1.52   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.990% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.01 +/- 2.39   0.009% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.00 +/- 2.47   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.24 +/- 2.54   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  22.25 +/- 2.70   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.00 +/- 1.79   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  23.79 +/- 6.80   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.30 +/- 1.74   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.9:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.38 +/- 0.08  98.016% * 99.0531% (1.00  10.0 10.00   6.31 159.91) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.67 +/- 0.42   1.938% *  0.0338% (0.34   1.0  1.00   0.02  22.38) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   9.30 +/- 1.67   0.041% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  14.10 +/- 1.66   0.004% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.56 +/- 1.28   0.001% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.30 +/- 1.03   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.87 +/- 0.83   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.14 +/- 1.41   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  22.50 +/- 4.40   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.45 +/- 1.92   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.9:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.24 +/- 0.47  99.594% * 99.3298% (1.00  10.0 10.00   5.75 159.91) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102   9.61 +/- 1.31   0.338% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  13.77 +/- 1.24   0.023% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.64 +/- 2.31   0.008% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  17.22 +/- 1.69   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.72 +/- 1.92   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.97 +/- 3.03   0.008% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  17.70 +/- 1.51   0.006% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  21.33 +/- 2.20   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.15 +/- 0.98   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.70 +/- 2.11   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.17 +/- 1.33   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.90 +/- 2.94   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.98 +/- 0.70  84.094% * 96.7067% (1.00  10.0 10.00   5.05 159.91) =  99.992%  kept
          QB    LEU   98 - HA    LYS+ 102   4.69 +/- 0.90  13.323% *  0.0330% (0.34   1.0  1.00   0.02   2.86) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+ 102   9.89 +/- 1.05   0.108% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   5.92 +/- 0.97   2.424% *  0.0269% (0.28   1.0  1.00   0.02   2.86) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  15.63 +/- 1.98   0.009% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.65 +/- 0.84   0.021% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  14.72 +/- 1.26   0.010% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.37 +/- 1.23   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.59 +/- 1.70   0.005% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.50 +/- 1.93   0.001% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.13 +/- 0.75   0.001% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  19.79 +/- 5.00   0.002% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  23.86 +/- 2.47   0.001% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.88 +/- 1.12   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.92 +/- 0.64  98.437% * 98.2489% (1.00 10.00   5.05 159.91) =  99.999%  kept
          QD    LYS+  38 - HA    LYS+ 102  10.15 +/- 2.05   0.917% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 102   7.97 +/- 0.62   0.429% *  0.0219% (0.22  1.00   0.02   1.96) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102  10.05 +/- 1.50   0.177% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  17.11 +/- 5.23   0.019% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  22.70 +/- 1.53   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.47 +/- 2.15   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  15.32 +/- 1.20   0.009% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  21.83 +/- 4.91   0.004% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  17.92 +/- 2.60   0.005% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.76 +/- 0.92   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  23.02 +/- 1.19   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.02 +/- 0.47  99.256% * 98.4155% (1.00 10.00   5.05 159.91) =  99.994%  kept
        T QE    LYS+  38 - HA    LYS+ 102  10.81 +/- 2.61   0.511% *  0.9085% (0.92 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  99 - HA    LYS+ 102   8.80 +/- 0.59   0.233% *  0.6760% (0.69 10.00   0.02   1.96) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.9:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.38 +/- 0.08  99.947% * 99.1785% (1.00  10.0 10.00   6.31 159.91) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   9.30 +/- 1.67   0.042% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  12.66 +/- 1.14   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.98 +/- 1.16   0.005% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  19.61 +/- 1.52   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.32 +/- 0.81   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.90 +/- 1.32   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  21.04 +/- 1.47   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.01 +/- 1.66   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.46 +/- 1.37   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.17 +/- 1.21   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.63 +/- 0.94   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.9:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.31 +/- 0.13  97.020% * 96.6607% (1.00  10.0 10.00   5.31 159.91) =  99.998%  kept
          HG    LEU   73 - HB    VAL   41   5.40 +/- 1.41   2.085% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+ 102   8.44 +/- 1.81   0.324% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB    VAL   41   5.98 +/- 0.74   0.452% *  0.0348% (0.36   1.0  1.00   0.02  19.76) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.90 +/- 2.23   0.020% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.80 +/- 1.32   0.008% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.66 +/- 2.78   0.003% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.35 +/- 2.19   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41   8.73 +/- 1.45   0.059% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.54 +/- 1.51   0.002% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  13.31 +/- 1.32   0.004% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  11.18 +/- 1.19   0.010% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.29 +/- 2.19   0.002% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.71 +/- 1.07   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.67 +/- 2.77   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.41 +/- 1.59   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  19.15 +/- 2.02   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  16.59 +/- 1.88   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.27 +/- 1.17   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.43 +/- 1.25   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  18.97 +/- 1.94   0.000% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.10 +/- 1.85   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.77 +/- 1.74   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.65 +/- 2.63   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.39 +/- 2.69   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  19.63 +/- 3.05   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.959, support = 4.66, residual support = 153.1:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.18  71.924% * 81.1240% (1.00  10.0 10.00   4.75 159.91) =  95.190%  kept
        T QB    LEU   98 - HB    VAL   41   3.63 +/- 1.72  23.693% * 12.4339% (0.15   1.0 10.00   2.96  18.27) =   4.806%  kept
        T HB    VAL   42 - HB    VAL   41   6.39 +/- 0.39   0.234% *  0.3573% (0.44   1.0 10.00   0.02  24.50) =   0.001%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.03 +/- 0.77   0.035% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.56 +/- 1.14   0.937% *  0.0226% (0.28   1.0  1.00   0.02   2.86) =   0.000%
          QB    LEU   98 - QB    LYS+ 102   5.27 +/- 0.57   0.762% *  0.0277% (0.34   1.0  1.00   0.02   2.86) =   0.000%
          HB3   LEU   73 - HB    VAL   41   6.86 +/- 1.35   0.549% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   8.33 +/- 0.92   0.053% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB    VAL   41   5.46 +/- 1.50   1.772% *  0.0101% (0.12   1.0  1.00   0.02  18.27) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  11.73 +/- 1.16   0.006% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  11.00 +/- 2.04   0.012% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.98 +/- 1.02   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  14.82 +/- 1.88   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  17.51 +/- 1.42   0.001% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  14.25 +/- 1.23   0.002% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.88 +/- 1.69   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.78 +/- 1.83   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.95 +/- 1.47   0.001% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  24.00 +/- 2.37   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.24 +/- 1.02   0.005% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.26 +/- 0.95   0.002% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  17.04 +/- 4.47   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.22 +/- 1.69   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.48 +/- 0.73   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  18.51 +/- 4.75   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.54 +/- 2.33   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.93 +/- 1.20   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  18.81 +/- 1.09   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.31 +/- 0.35  98.564% * 94.6216% (1.00  10.0 10.00   4.75 159.91) =  99.998%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.71 +/- 1.68   0.126% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   6.19 +/- 1.31   0.824% *  0.0211% (0.22   1.0  1.00   0.02   1.96) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.54 +/- 1.76   0.028% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.18 +/- 0.98   0.020% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   7.34 +/- 1.26   0.221% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.43 +/- 1.37   0.136% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.13 +/- 1.20   0.049% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  14.78 +/- 4.76   0.010% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.58 +/- 1.37   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.00 +/- 2.16   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.90 +/- 0.92   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.34 +/- 1.95   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  20.38 +/- 4.60   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.96 +/- 1.35   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  18.93 +/- 4.46   0.002% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  14.81 +/- 1.05   0.002% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  12.23 +/- 1.41   0.009% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  14.40 +/- 1.97   0.003% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.55 +/- 2.28   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.56 +/- 2.08   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  17.00 +/- 4.51   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  21.29 +/- 1.17   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  20.32 +/- 0.80   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.51  99.025% * 97.2926% (1.00 10.00   4.75 159.91) =  99.994%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.16 +/- 1.36   0.610% *  0.6683% (0.69 10.00   0.02   1.96) =   0.004%
        T QE    LYS+  38 - QB    LYS+ 102   9.41 +/- 2.10   0.121% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   8.09 +/- 0.68   0.170% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.46 +/- 1.58   0.046% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  10.81 +/- 1.05   0.028% *  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 = 159.9:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.24 +/- 0.47  99.996% * 99.7392% (1.00  10.0 10.00   5.75 159.91) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.41 +/- 2.10   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  23.03 +/- 1.29   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.97 +/- 1.92   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.19 +/- 1.59   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.61 +/- 1.68   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.9:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.31 +/- 0.13  99.780% * 98.4503% (1.00  10.0 10.00   5.31 159.91) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.90 +/- 2.23   0.021% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.39 +/- 0.88   0.187% *  0.0336% (0.34   1.0  1.00   0.02  22.38) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  15.07 +/- 2.47   0.011% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.44 +/- 1.91   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.37 +/- 1.87   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.84 +/- 1.39   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.47 +/- 2.47   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  23.53 +/- 4.96   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.50 +/- 2.43   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.919% * 96.7067% (1.00  10.0 10.00   4.42 159.91) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.62 +/- 1.53   0.002% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.64 +/- 0.74   0.043% *  0.0330% (0.34   1.0  1.00   0.02   2.86) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.22 +/- 1.26   0.034% *  0.0269% (0.28   1.0  1.00   0.02   2.86) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.59 +/- 2.43   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.21 +/- 1.43   0.001% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  16.56 +/- 1.61   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.63 +/- 2.13   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.44 +/- 1.85   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  20.18 +/- 5.42   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.34 +/- 3.16   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.08 +/- 2.54   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.12 +/- 1.30   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.86 +/- 1.69   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.19 +/- 0.01  99.817% * 98.2489% (1.00  10.0 10.00   4.42 159.91) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102   9.41 +/- 2.22   0.054% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   7.87 +/- 1.66   0.118% *  0.0219% (0.22   1.0  1.00   0.02   1.96) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.52 +/- 1.68   0.008% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  18.16 +/- 5.76   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  23.77 +/- 2.38   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.03 +/- 2.02   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  22.69 +/- 5.50   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.14 +/- 1.58   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.14 +/- 2.79   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.73 +/- 1.35   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  25.09 +/- 1.53   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.25 +/- 0.11  95.990% * 98.4155% (1.00  10.0 10.00   4.42 159.91) =  99.962%  kept
        T QE    LYS+  38 - HG2   LYS+ 102   9.93 +/- 2.67   3.584% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.034%
        T QE    LYS+  99 - HG2   LYS+ 102   8.98 +/- 1.58   0.427% *  0.6760% (0.69   1.0 10.00   0.02   1.96) =   0.003%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.98 +/- 0.70  99.638% * 97.9004% (1.00  10.0 10.00   5.05 159.91) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.89 +/- 1.05   0.158% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  15.63 +/- 1.98   0.014% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  11.69 +/- 1.25   0.065% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.26 +/- 3.64   0.016% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.37 +/- 1.23   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.02 +/- 0.32   0.043% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.73 +/- 1.97   0.022% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.66 +/- 1.96   0.005% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.55 +/- 0.96   0.023% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  18.69 +/- 2.46   0.003% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  22.48 +/- 1.80   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.22 +/- 2.40   0.001% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  23.01 +/- 1.17   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.05 +/- 1.24   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.01 +/- 2.02   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.10 +/- 1.56   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.05 +/- 1.05   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.07 +/- 1.85   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.23 +/- 1.53   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.02 +/- 1.41   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.63 +/- 1.56   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.65 +/- 1.56   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.93 +/- 1.58   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.904, support = 5.14, residual support = 161.7:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.18  46.162% * 54.4770% (1.00  10.0 10.00   4.75 159.91) =  52.400%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.34 +/- 0.14  52.569% * 43.4551% (0.80  10.0  1.00   5.57 163.64) =  47.599%  kept
          HB3   GLN   17 - HG3   LYS+  65   6.94 +/- 2.15   0.487% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.38 +/- 0.64   0.188% *  0.0305% (0.56   1.0  1.00   0.02  24.94) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   8.33 +/- 0.92   0.032% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   7.92 +/- 2.59   0.108% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  11.00 +/- 2.04   0.009% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.03 +/- 0.77   0.020% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.24 +/- 0.73   0.089% *  0.0186% (0.34   1.0  1.00   0.02  22.38) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.64 +/- 2.06   0.316% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  14.82 +/- 1.88   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.98 +/- 1.02   0.003% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.32 +/- 1.99   0.002% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.74 +/- 1.57   0.002% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  17.51 +/- 1.42   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.88 +/- 1.69   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  18.27 +/- 2.45   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.34 +/- 0.81   0.002% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  15.55 +/- 1.95   0.002% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.30 +/- 2.64   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  15.10 +/- 1.22   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.84 +/- 2.12   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.66 +/- 1.76   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.48 +/- 1.17   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.84 +/- 1.55   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  18.53 +/- 0.99   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.57 +/- 1.65   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.56 +/- 1.55   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.85 +/- 1.05   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.69 +/- 2.08   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.96 +/- 1.45   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.77 +/- 4.77   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.85 +/- 1.72   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.73 +/- 1.32   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.92 +/- 2.47   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  21.29 +/- 1.10   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.20 +/- 2.28   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.28 +/- 4.18   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.52 +/- 2.38   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.82 +/- 1.90   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  96.196% * 96.9231% (1.00  10.0 10.00   4.42 159.91) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   4.21 +/- 1.48   3.480% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HG3   LYS+  65   6.12 +/- 1.28   0.259% *  0.0684% (0.71   1.0  1.00   0.02  24.94) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   8.62 +/- 1.49   0.013% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   8.52 +/- 1.04   0.011% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   8.54 +/- 1.64   0.011% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.62 +/- 1.53   0.002% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  10.78 +/- 1.70   0.004% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.71 +/- 1.09   0.009% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.59 +/- 2.43   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.45 +/- 1.54   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.79 +/- 1.19   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  15.61 +/- 1.39   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.55 +/- 2.03   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.90 +/- 1.16   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.63 +/- 1.40   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.89 +/- 2.66   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.81 +/- 1.82   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.91 +/- 1.17   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.93 +/- 2.94   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.63 +/- 2.13   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.02 +/- 1.27   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  13.84 +/- 1.53   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.08 +/- 1.63   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.72 +/- 1.23   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.44 +/- 2.34   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.69 +/- 1.43   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  15.71 +/- 2.52   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.15 +/- 1.55   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  15.57 +/- 2.71   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.52 +/- 1.75   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  20.81 +/- 2.31   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  15.78 +/- 1.43   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.41 +/- 2.23   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.47 +/- 1.67   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.01 +/- 3.40   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.62 +/- 1.18   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.57 +/- 1.28   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  19.32 +/- 2.10   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.64 +/- 0.89   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  23.08 +/- 2.51   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.63 +/- 1.36   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.67 +/- 1.88   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  21.82 +/- 2.31   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  22.00 +/- 2.08   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.65 +/- 3.26   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.34 +/- 1.90   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  17.75 +/- 1.53   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.59 +/- 1.76   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.26 +/- 2.17   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.97 +/- 2.65   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  26.28 +/- 2.97   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 = 160.1:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.48 +/- 0.09  28.753% * 63.6907% (1.00  10.0 10.00   4.00 159.91) =  64.751%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.47 +/- 0.11  29.915% * 29.3443% (0.46  10.0 10.00   4.28 163.64) =  31.038%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.35 +/- 0.18  41.157% *  2.8935% (0.05  10.0  1.00   4.63 136.51) =   4.211%  kept
          QD    LYS+  38 - HG3   LYS+ 102   9.52 +/- 2.31   0.071% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33   9.82 +/- 1.46   0.010% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 106  10.28 +/- 1.43   0.010% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.15 +/- 1.48   0.047% *  0.0142% (0.22   1.0  1.00   0.02   1.96) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  15.63 +/- 2.33   0.001% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.03 +/- 1.39   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.33 +/- 2.13   0.002% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  11.05 +/- 1.19   0.004% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  17.27 +/- 1.34   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.37 +/- 1.51   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  10.89 +/- 3.67   0.008% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.58 +/- 1.52   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.97 +/- 2.29   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.69 +/- 1.93   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  15.71 +/- 2.60   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.65 +/- 2.08   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  18.31 +/- 5.62   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.90 +/- 2.35   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  23.97 +/- 2.15   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.66 +/- 1.14   0.006% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.05 +/- 1.95   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.95 +/- 2.18   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.19 +/- 1.67   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.58 +/- 1.66   0.001% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.45 +/- 1.18   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  22.94 +/- 5.32   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.12 +/- 2.16   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.05 +/- 2.85   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.56 +/- 2.80   0.000% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  19.85 +/- 2.42   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  15.12 +/- 1.43   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.37 +/- 2.16   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.79 +/- 1.58   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.87 +/- 1.05   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.03 +/- 1.59   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.21 +/- 1.71   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.90 +/- 2.31   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.76 +/- 1.06   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.66 +/- 1.86   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.16 +/- 1.69   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  25.10 +/- 1.46   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.46 +/- 4.51   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  24.10 +/- 4.08   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.86 +/- 1.30   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.92 +/- 1.31   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 = 159.8:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.24 +/- 0.19  95.730% * 94.7812% (1.00  10.0 10.00   4.00 159.91) =  99.959%  kept
        T QE    LYS+  38 - HG3   LYS+ 102  10.08 +/- 2.79   4.193% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.040%
        T QE    LYS+  99 - HG3   LYS+ 102   9.20 +/- 1.45   0.035% *  0.6511% (0.69   1.0 10.00   0.02   1.96) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  11.00 +/- 1.10   0.010% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106  10.05 +/- 1.15   0.015% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  10.95 +/- 1.25   0.010% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  13.04 +/- 1.50   0.003% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  15.64 +/- 2.14   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.76 +/- 1.61   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.58 +/- 2.30   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.78 +/- 1.45   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  23.67 +/- 1.94   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.92 +/- 0.64  91.829% * 99.0980% (1.00 10.00   5.05 159.91) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.38 +/- 2.03   8.107% *  0.0126% (0.13  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - QD    LYS+  65  22.70 +/- 1.53   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.05 +/- 1.91   0.034% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.54 +/- 1.92   0.007% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.47 +/- 2.15   0.000% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  20.37 +/- 2.09   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.32 +/- 1.30   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.55 +/- 2.98   0.006% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  17.42 +/- 2.38   0.005% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.49 +/- 2.23   0.002% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.95 +/- 1.84   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.90 +/- 3.36   0.002% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.50 +/- 2.93   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.02 +/- 1.94   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.00 +/- 2.00   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.83 +/- 2.00   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.21 +/- 2.12   0.000% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.807, support = 4.82, residual support = 160.9:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.31 +/- 0.35  41.120% * 77.3438% (1.00  10.0 10.00   4.75 159.91) =  74.327%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.14 +/- 0.11  57.328% * 19.1619% (0.25  10.0 10.00   5.04 163.64) =  25.673%  kept
          HB3   GLN   17 - QD    LYS+  65   6.50 +/- 2.33   1.184% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.28 +/- 2.56   0.037% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.35 +/- 0.91   0.193% *  0.0264% (0.34   1.0  1.00   0.02  22.38) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.54 +/- 1.76   0.006% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.23 +/- 0.53   0.107% *  0.0134% (0.17   1.0  1.00   0.02  24.94) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.44 +/- 2.27   0.005% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.63 +/- 1.83   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.20 +/- 2.25   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.19 +/- 1.31   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  13.31 +/- 2.71   0.001% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  12.30 +/- 4.28   0.013% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.83 +/- 1.94   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.04 +/- 1.54   0.002% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.58 +/- 1.37   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  21.50 +/- 4.54   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.34 +/- 1.95   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.00 +/- 2.16   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.03 +/- 1.88   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.06 +/- 1.42   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.06 +/- 2.16   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.56 +/- 2.08   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.62 +/- 2.35   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.89 +/- 2.19   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.06 +/- 2.69   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.64 +/- 1.31   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.35 +/- 1.36   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  26.20 +/- 2.44   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  25.72 +/- 2.36   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.19 +/- 0.01  91.433% * 98.4875% (1.00  10.0 10.00   4.42 159.91) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.31 +/- 1.06   6.634% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD    LYS+  65   5.71 +/- 0.97   0.518% *  0.0216% (0.22   1.0  1.00   0.02  24.94) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   5.76 +/- 1.19   1.143% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.49 +/- 1.80   0.054% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.53 +/- 1.41   0.052% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.50 +/- 1.49   0.058% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.40 +/- 1.00   0.049% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.53 +/- 2.87   0.004% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  14.43 +/- 1.71   0.002% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.82 +/- 1.01   0.026% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.14 +/- 2.43   0.002% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.96 +/- 2.05   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.25 +/- 1.08   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.90 +/- 1.16   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.05 +/- 2.22   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  11.74 +/- 0.91   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.12 +/- 3.22   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.77 +/- 2.38   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.12 +/- 2.26   0.001% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  15.09 +/- 1.21   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  17.84 +/- 2.07   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.10 +/- 1.64   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.90 +/- 2.40   0.002% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  20.68 +/- 2.59   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.55 +/- 1.68   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.03 +/- 2.02   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.61 +/- 1.53   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.35 +/- 1.75   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.49 +/- 2.48   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.32 +/- 1.31   0.001% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  21.18 +/- 3.30   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.40 +/- 3.27   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.69 +/- 2.56   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.00 +/- 2.71   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.75 +/- 2.34   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.59 +/- 2.02   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.80 +/- 2.38   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  25.52 +/- 2.02   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 0.00 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.848, support = 4.06, residual support = 160.7:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.48 +/- 0.09  49.033% * 76.0877% (1.00  10.0 10.00   4.00 159.91) =  79.740%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.47 +/- 0.11  50.284% * 18.8507% (0.25  10.0 10.00   4.28 163.64) =  20.259%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102  10.28 +/- 1.43   0.016% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.77 +/- 2.54   0.080% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.43 +/- 0.86   0.231% *  0.0260% (0.34   1.0  1.00   0.02   2.86) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.70 +/- 1.15   0.209% *  0.0197% (0.26   1.0  1.00   0.02  28.14) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.79 +/- 1.29   0.111% *  0.0212% (0.28   1.0  1.00   0.02   2.86) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  15.29 +/- 1.59   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  15.63 +/- 2.33   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.33 +/- 2.13   0.003% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.41 +/- 1.37   0.003% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.93 +/- 1.24   0.005% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.65 +/- 2.08   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.69 +/- 1.93   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.19 +/- 1.67   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.57 +/- 2.28   0.003% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.32 +/- 1.37   0.002% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.97 +/- 2.29   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.58 +/- 4.90   0.002% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.22 +/- 2.17   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.39 +/- 2.25   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.97 +/- 2.15   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.46 +/- 2.72   0.003% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.74 +/- 1.58   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  17.21 +/- 1.88   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.05 +/- 1.95   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.45 +/- 1.80   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  22.58 +/- 2.71   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.19 +/- 2.17   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.19 +/- 2.24   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.63 +/- 1.29   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.25 +/- 2.65   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.50 +/- 1.23   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.90 +/- 2.31   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.70 +/- 1.78   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  19.90 +/- 1.67   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.32 +/- 1.79   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 1.43   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.75 +/- 2.66   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.57 +/- 1.33   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  21.99 +/- 1.96   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.47 +/- 2.00   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 = 159.9:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.02  99.152% * 97.1326% (1.00  10.0 10.00   4.00 159.91) =  99.992%  kept
        T QE    LYS+  38 - QD    LYS+ 102   9.81 +/- 2.87   0.824% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  99 - QD    LYS+ 102   9.19 +/- 1.26   0.022% *  0.6672% (0.69   1.0 10.00   0.02   1.96) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.65 +/- 1.46   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.73 +/- 2.45   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  21.95 +/- 2.06   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.00 +/- 2.15   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.07 +/- 2.49   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  28.96 +/- 2.69   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.02 +/- 0.47  99.239% * 98.6090% (1.00 10.00   5.05 159.91) =  99.997%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.80 +/- 0.59   0.233% *  0.6725% (0.68 10.00   0.02   1.96) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  10.81 +/- 2.61   0.511% *  0.2257% (0.23 10.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+  99  18.65 +/- 0.85   0.003% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.25 +/- 1.94   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  20.08 +/- 1.25   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.12 +/- 1.45   0.002% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.01 +/- 0.93   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.19 +/- 0.88   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.86 +/- 1.65   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.80 +/- 1.97   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.48 +/- 1.51   0.000% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  28.79 +/- 1.96   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  28.00 +/- 0.84   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.01 +/- 1.14   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.51 +/- 1.67   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.28 +/- 1.45   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.13 +/- 1.16   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.57 +/- 0.51  97.724% * 97.3354% (1.00 10.00   4.75 159.91) =  99.994%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.16 +/- 1.36   0.598% *  0.6638% (0.68 10.00   0.02   1.96) =   0.004%
        T HB    VAL   41 - QE    LYS+  99   8.09 +/- 0.68   0.167% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.14 +/- 0.65   1.058% *  0.0332% (0.34  1.00   0.02  22.38) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.41 +/- 2.10   0.120% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  10.46 +/- 1.58   0.045% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   9.18 +/- 1.53   0.113% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  10.81 +/- 1.05   0.027% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.48 +/- 0.82   0.058% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.46 +/- 2.04   0.028% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.55 +/- 1.97   0.005% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  14.39 +/- 1.61   0.006% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.89 +/- 1.57   0.016% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  15.45 +/- 5.40   0.018% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.09 +/- 1.88   0.001% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.54 +/- 1.35   0.002% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  13.62 +/- 2.00   0.007% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.66 +/- 1.69   0.001% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.98 +/- 1.09   0.001% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.12 +/- 1.14   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  17.97 +/- 1.96   0.002% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.93 +/- 2.00   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.66 +/- 2.03   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.57 +/- 4.25   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.22 +/- 2.17   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.98 +/- 2.33   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.08 +/- 1.48   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  23.74 +/- 5.70   0.001% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  25.02 +/- 1.42   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.68 +/- 2.04   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.987, support = 4.34, residual support = 155.8:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.25 +/- 0.11  59.155% * 93.6294% (1.00  10.0 10.00   4.42 159.91) =  97.203%  kept
          HG    LEU   40 - QE    LYS+  99   4.08 +/- 1.50  36.328% *  4.3618% (0.55   1.0  1.00   1.71  12.23) =   2.781%  kept
        T HG2   LYS+ 102 - QE    LYS+  38   9.93 +/- 2.67   3.176% *  0.2143% (0.23   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   LYS+ 102 - QE    LYS+  99   8.98 +/- 1.58   0.290% *  0.6385% (0.68   1.0 10.00   0.02   1.96) =   0.003%
          HG    LEU   40 - QE    LYS+ 102  10.45 +/- 2.03   0.485% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  99   9.67 +/- 2.20   0.142% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99  10.18 +/- 1.98   0.135% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.54 +/- 2.35   0.039% *  0.0554% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.59 +/- 1.01   0.033% *  0.0626% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  10.76 +/- 1.49   0.061% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  14.40 +/- 1.62   0.009% *  0.0918% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  13.07 +/- 3.78   0.045% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.59 +/- 3.00   0.010% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.22 +/- 2.37   0.005% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.45 +/- 1.47   0.016% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  15.04 +/- 0.98   0.006% *  0.0336% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  17.33 +/- 2.42   0.004% *  0.0511% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.47 +/- 0.99   0.008% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  17.13 +/- 3.05   0.007% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.10 +/- 2.26   0.002% *  0.0812% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.73 +/- 2.37   0.008% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.33 +/- 2.25   0.006% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  20.56 +/- 2.41   0.001% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  19.23 +/- 2.61   0.003% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.13 +/- 1.66   0.002% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.59 +/- 1.46   0.001% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.28 +/- 1.58   0.003% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.87 +/- 3.00   0.004% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  17.85 +/- 1.88   0.003% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  19.05 +/- 2.22   0.002% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  15.83 +/- 1.49   0.006% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  21.06 +/- 3.11   0.001% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  20.26 +/- 1.14   0.001% *  0.0218% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.22 +/- 1.73   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  20.24 +/- 4.01   0.002% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  25.35 +/- 2.82   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.21 +/- 1.41   0.001% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  23.48 +/- 1.96   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.95 +/- 3.76   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.9:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.24 +/- 0.19  95.015% * 93.0940% (1.00  10.0 10.00   4.00 159.91) =  99.989%  kept
        T HG3   LYS+ 102 - QE    LYS+  38  10.08 +/- 2.79   4.173% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 102 - QE    LYS+  99   9.20 +/- 1.45   0.035% *  0.6349% (0.68   1.0 10.00   0.02   1.96) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102  10.05 +/- 1.15   0.015% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.41 +/- 0.99   0.323% *  0.0318% (0.34   1.0  1.00   0.02   2.86) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  10.95 +/- 1.25   0.010% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.85 +/- 0.30   0.137% *  0.0217% (0.23   1.0  1.00   0.02  19.05) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.60 +/- 1.40   0.047% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   7.71 +/- 1.27   0.090% *  0.0259% (0.28   1.0  1.00   0.02   2.86) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  13.04 +/- 1.50   0.003% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  11.00 +/- 1.10   0.009% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  15.64 +/- 2.14   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.38 +/- 0.92   0.052% *  0.0177% (0.19   1.0  1.00   0.02  19.05) =   0.000%
          QB    ALA  124 - QE    LYS+  99  12.68 +/- 5.90   0.043% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.76 +/- 1.61   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.41 +/- 1.31   0.003% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  12.98 +/- 0.98   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.08 +/- 1.50   0.017% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  15.21 +/- 1.62   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.78 +/- 1.45   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  23.67 +/- 1.94   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.38 +/- 2.49   0.011% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.94 +/- 2.24   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.63 +/- 1.20   0.001% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.58 +/- 2.30   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  18.71 +/- 4.59   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.22 +/- 1.56   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.03 +/- 0.92   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.43 +/- 2.66   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.72 +/- 2.84   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  17.83 +/- 0.93   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.09 +/- 2.21   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.06 +/- 0.90   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.46 +/- 1.03   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  22.71 +/- 2.49   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.12 +/- 0.92   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  18.75 +/- 6.45   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  19.79 +/- 1.55   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.70 +/- 0.89   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.53 +/- 3.50   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  20.84 +/- 1.19   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.84 +/- 1.31   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.782, support = 3.96, residual support = 169.6:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.02  31.866% * 72.2175% (1.00  10.0 10.00   4.00 159.91) =  73.774%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.10 +/- 0.03  33.272% * 13.2369% (0.18  10.0  1.00   3.74 218.26) =  14.119%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.437% * 10.9650% (0.15  10.0 10.00   4.00 171.80) =  12.105%  kept
        T QD    LYS+ 102 - QE    LYS+  38   9.81 +/- 2.87   0.299% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  99   9.19 +/- 1.26   0.007% *  0.4925% (0.68   1.0 10.00   0.02   1.96) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.38 +/- 1.36   0.015% *  0.1608% (0.22   1.0 10.00   0.02   1.96) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   7.25 +/- 1.34   0.040% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102   9.65 +/- 2.41   0.024% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.75 +/- 1.45   0.005% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.30 +/- 1.51   0.020% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.26 +/- 1.42   0.002% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  12.14 +/- 5.28   0.005% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  14.75 +/- 5.77   0.002% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  16.57 +/- 4.90   0.002% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.65 +/- 1.46   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  20.86 +/- 4.73   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.00 +/- 2.15   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  21.95 +/- 2.06   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.07 +/- 2.49   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.52 +/- 0.75   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  17.46 +/- 3.05   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  15.74 +/- 1.62   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.22 +/- 1.47   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.73 +/- 2.45   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.81 +/- 1.21   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.74 +/- 1.11   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.76 +/- 1.72   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  20.81 +/- 5.43   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  23.13 +/- 6.12   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  22.00 +/- 1.64   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.39 +/- 0.91   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.80 +/- 0.75   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  28.96 +/- 2.69   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  22.06 +/- 2.20   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.57 +/- 1.48   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.10 +/- 1.20   0.000% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.681, support = 5.79, residual support = 138.3:
    * O T HB    ILE  103 - HA    ILE  103   2.94 +/- 0.06  22.583% * 82.5223% (1.00  10.0 10.00   5.66 138.30) =  60.178%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.37 +/- 0.27  75.512% * 16.3310% (0.20  10.0 10.00   5.98 138.30) =  39.820%  kept
          HB3   ASP- 105 - HA    ILE  103   6.94 +/- 0.85   0.315% *  0.0818% (0.99   1.0  1.00   0.02   2.59) =   0.001%
          QB    LYS+ 106 - HA    ILE  103   7.00 +/- 1.30   0.166% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.77 +/- 0.32   1.348% *  0.0068% (0.08   1.0  1.00   0.02  22.82) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.26 +/- 1.69   0.005% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.80 +/- 0.77   0.041% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.12 +/- 1.70   0.013% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.53 +/- 0.99   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  12.74 +/- 1.54   0.005% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  16.63 +/- 2.72   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.21 +/- 1.25   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.59 +/- 0.89   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.47 +/- 1.78   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.01 +/- 1.19   0.004% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  19.01 +/- 4.09   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.93 +/- 1.45   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.98 +/- 1.69   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  20.47 +/- 5.61   0.001% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.38 +/- 1.78   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.76 +/- 1.94   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.92 +/- 0.65   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.68 +/- 1.31   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.79 +/- 1.76   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  24.70 +/- 1.22   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  29.94 +/- 1.36   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.951, support = 5.34, residual support = 138.3:
    * O T QG2   ILE  103 - HA    ILE  103   2.74 +/- 0.14  79.983% * 68.5552% (1.00  10.0 10.00   5.38 138.30) =  91.164%  kept
        T QD1   ILE  103 - HA    ILE  103   3.58 +/- 0.21  17.287% * 30.7355% (0.45   1.0 10.00   4.92 138.30) =   8.834%  kept
          QD2   LEU   40 - HA    ILE  103   5.50 +/- 0.50   1.433% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    THR   39   5.87 +/- 0.24   0.875% *  0.0219% (0.32   1.0  1.00   0.02  23.76) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.24 +/- 1.27   0.025% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.53 +/- 0.65   0.241% *  0.0128% (0.19   1.0  1.00   0.02   0.21) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.37 +/- 1.19   0.077% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.55 +/- 1.22   0.013% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.10 +/- 1.52   0.016% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.69 +/- 1.57   0.025% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.42 +/- 3.33   0.009% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  13.89 +/- 1.58   0.006% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.04 +/- 1.34   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.01 +/- 3.85   0.008% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.96 +/- 0.86   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  17.78 +/- 0.77   0.001% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.549, support = 5.17, residual support = 138.3:
      O T QG2   ILE  103 - HA    ILE  103   2.74 +/- 0.14  79.988% * 21.1374% (0.25  10.0 10.00   5.38 138.30) =  55.551%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.58 +/- 0.21  17.288% * 78.2519% (0.92   1.0 10.00   4.92 138.30) =  44.448%  kept
          QD2   LEU   40 - HA    ILE  103   5.50 +/- 0.50   1.433% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    THR   39   7.53 +/- 0.65   0.241% *  0.0234% (0.28   1.0  1.00   0.02   0.21) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.87 +/- 0.24   0.875% *  0.0043% (0.05   1.0  1.00   0.02  23.76) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.55 +/- 1.22   0.013% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.69 +/- 1.57   0.025% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.24 +/- 1.27   0.025% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.42 +/- 3.33   0.009% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.37 +/- 1.19   0.077% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.10 +/- 1.52   0.016% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.01 +/- 3.85   0.008% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.04 +/- 1.34   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.96 +/- 0.86   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.3:
    * O T HA    ILE  103 - HB    ILE  103   2.94 +/- 0.06  99.944% * 98.6567% (1.00  10.0 10.00   5.66 138.30) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.26 +/- 1.69   0.015% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  12.85 +/- 1.28   0.018% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  16.99 +/- 3.53   0.005% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  14.85 +/- 4.53   0.015% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.34 +/- 2.89   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  22.87 +/- 2.48   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.42 +/- 2.16   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  27.08 +/- 1.79   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  32.78 +/- 3.10   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.19 +/- 1.80   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.81 +/- 2.10   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.859, support = 4.95, residual support = 138.3:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  56.521% * 68.8462% (1.00  10.0 10.00   5.03 138.30) =  74.376%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.22 +/- 0.13  43.433% * 30.8659% (0.45  10.0 10.00   4.72 138.30) =  25.624%  kept
          QD2   LEU   40 - HB    ILE  103   7.78 +/- 0.83   0.042% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.06 +/- 2.03   0.002% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.75 +/- 1.64   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.75 +/- 3.41   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  14.79 +/- 1.72   0.001% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.50 +/- 1.27   0.000% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 4.8, residual support = 138.3:
    * O T QD1   ILE  103 - HB    ILE  103   2.22 +/- 0.13  43.433% * 78.5650% (0.92  10.0 10.00   4.72 138.30) =  73.991%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  56.521% * 21.2220% (0.25  10.0 10.00   5.03 138.30) =  26.009%  kept
          QD2   LEU   40 - HB    ILE  103   7.78 +/- 0.83   0.042% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.75 +/- 3.41   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.75 +/- 1.64   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.06 +/- 2.03   0.002% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.50 +/- 1.27   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 138.3:
    * O T HA    ILE  103 - QG2   ILE  103   2.74 +/- 0.14  99.862% * 98.6567% (1.00  10.0 10.00   5.38 138.30) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.24 +/- 1.27   0.034% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.63 +/- 0.91   0.064% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.98 +/- 2.67   0.009% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  12.66 +/- 3.34   0.020% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.51 +/- 2.12   0.005% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  18.96 +/- 1.70   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.40 +/- 1.74   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.23 +/- 1.25   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.41 +/- 2.29   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.57 +/- 1.25   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.66 +/- 1.54   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.984, support = 5.03, residual support = 138.3:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  85.059% * 82.9317% (1.00  10.0 10.00   5.03 138.30) =  97.971%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.12 +/- 0.16   8.876% * 16.4121% (0.20  10.0 10.00   5.31 138.30) =   2.023%  kept
          QB    LYS+ 106 - QG2   ILE  103   4.23 +/- 1.40   4.016% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.01 +/- 0.71   2.039% *  0.0822% (0.99   1.0  1.00   0.02   2.59) =   0.002%
          HG3   PRO   68 - QG2   ILE  103  15.14 +/- 2.78   0.002% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.16 +/- 0.94   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.81 +/- 1.87   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.54 +/- 3.27   0.002% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.13 +/- 1.47   0.002% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.32 +/- 1.30   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.60 +/- 1.63   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.46 +/- 1.22   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  18.47 +/- 1.94   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.92, residual support = 138.3:
    *   T HA    ILE  103 - QD1   ILE  103   3.58 +/- 0.21  98.792% * 98.6567% (0.92 10.00   4.92 138.30) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.55 +/- 1.22   0.070% *  0.7164% (0.67 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QD1   ILE  103   9.49 +/- 1.61   0.502% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  10.61 +/- 3.82   0.401% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  12.35 +/- 3.10   0.112% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.29 +/- 2.82   0.088% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.20 +/- 2.59   0.015% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.01 +/- 2.23   0.013% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.26 +/- 1.95   0.003% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.37 +/- 2.24   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.58 +/- 1.32   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.59 +/- 1.46   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.78, support = 4.7, residual support = 138.3:
    * O T HB    ILE  103 - QD1   ILE  103   2.22 +/- 0.13  44.808% * 82.9317% (0.92  10.0 10.00   4.72 138.30) =  80.625%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.02  54.408% * 16.4121% (0.18  10.0 10.00   4.62 138.30) =  19.374%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.34 +/- 1.82   0.722% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   ILE  103   7.57 +/- 0.96   0.056% *  0.0822% (0.91   1.0  1.00   0.02   2.59) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.15 +/- 1.25   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  14.04 +/- 2.12   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  16.52 +/- 2.53   0.001% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.70 +/- 1.97   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.09 +/- 1.52   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.55 +/- 3.46   0.001% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.60 +/- 1.96   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.75 +/- 2.02   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.78 +/- 2.20   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 218.4:
    * O T HB2   LEU  104 - HA    LEU  104   2.96 +/- 0.18  99.899% * 99.7433% (0.87  10.0 10.00   5.98 218.35) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.15 +/- 0.58   0.067% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  13.55 +/- 2.85   0.025% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  15.10 +/- 1.60   0.007% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.17 +/- 2.18   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 218.4:
    * O T HB3   LEU  104 - HA    LEU  104   2.44 +/- 0.11  99.940% * 99.4463% (0.76  10.0 10.00   5.31 218.35) = 100.000%  kept
          QD1   LEU   71 - HA    LEU  104  13.64 +/- 2.15   0.029% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    LEU  104  10.44 +/- 0.94   0.020% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  13.87 +/- 3.57   0.006% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  15.34 +/- 1.19   0.002% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  14.13 +/- 1.34   0.003% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 218.4:
    * O T HG    LEU  104 - HA    LEU  104   3.20 +/- 0.39  98.829% * 99.5259% (1.00  10.0 10.00   5.85 218.35) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104  10.91 +/- 5.08   0.316% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  104  10.83 +/- 5.32   0.827% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  17.15 +/- 2.55   0.008% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.94 +/- 2.38   0.009% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  19.54 +/- 0.93   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.21 +/- 1.81   0.003% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.59 +/- 1.10   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.20 +/- 1.47   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 218.3:
    *   T QD1   LEU  104 - HA    LEU  104   3.76 +/- 0.16  99.591% * 98.8828% (0.96 10.00   5.31 218.35) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  11.30 +/- 1.14   0.170% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  12.41 +/- 1.06   0.106% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  14.22 +/- 2.23   0.073% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  16.81 +/- 2.17   0.017% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  17.38 +/- 1.00   0.012% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.76 +/- 0.94   0.031% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 5.98, residual support = 217.2:
    *   T QD2   LEU  104 - HA    LEU  104   2.34 +/- 0.54  97.670% * 79.5012% (1.00 10.00   6.00 218.35) =  99.437%  kept
        T QD1   LEU   98 - HA    LEU  104   6.17 +/- 0.93   2.229% * 19.7329% (0.31 10.00   1.61   6.13) =   0.563%  kept
        T QG1   VAL   41 - HA    LEU  104  10.68 +/- 1.07   0.030% *  0.1573% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.93 +/- 0.95   0.065% *  0.0271% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.18 +/- 1.05   0.002% *  0.4501% (0.56 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  16.92 +/- 1.34   0.002% *  0.0767% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.91 +/- 0.88   0.001% *  0.0546% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 218.4:
    * O T HA    LEU  104 - HB2   LEU  104   2.96 +/- 0.18  99.990% * 99.7454% (0.87  10.0 10.00   5.98 218.35) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  15.45 +/- 3.01   0.008% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  19.05 +/- 3.01   0.002% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.32 +/- 1.18   0.000% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.94 +/- 1.41   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 218.4:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.883% * 99.4463% (0.66  10.0 10.00   5.43 218.35) = 100.000%  kept
          QD1   LEU   71 - HB2   LEU  104  11.99 +/- 2.33   0.103% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU  104   8.52 +/- 0.91   0.009% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  12.33 +/- 4.00   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.95 +/- 1.77   0.001% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  13.65 +/- 1.60   0.001% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 218.4:
    * O T HG    LEU  104 - HB2   LEU  104   2.53 +/- 0.27  99.233% * 99.5259% (0.87  10.0 10.00   6.00 218.35) = 100.000%  kept
          HB3   LYS+ 121 - HB2   LEU  104   9.73 +/- 5.39   0.238% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   9.59 +/- 5.50   0.518% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.95 +/- 2.43   0.005% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  16.69 +/- 2.50   0.002% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.81 +/- 1.07   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.77 +/- 1.70   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.44 +/- 0.73   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.86 +/- 1.53   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.43, residual support = 218.4:
    * O T QD1   LEU  104 - HB2   LEU  104   2.46 +/- 0.24  99.922% * 98.8828% (0.84  10.0 10.00   5.43 218.35) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   9.60 +/- 1.49   0.046% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.10 +/- 1.02   0.018% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  13.07 +/- 2.43   0.008% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  16.44 +/- 1.88   0.002% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.62 +/- 0.73   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.29 +/- 0.77   0.003% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 218.3:
    * O T QD2   LEU  104 - HB2   LEU  104   3.00 +/- 0.35  97.476% * 99.0156% (0.87  10.0 10.00   6.25 218.35) =  99.999%  kept
          QD1   LEU   98 - HB2   LEU  104   6.22 +/- 0.72   2.168% *  0.0306% (0.27   1.0  1.00   0.02   6.13) =   0.001%
        T QG1   VAL   41 - HB2   LEU  104   9.45 +/- 0.88   0.148% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB2   LEU  104   8.91 +/- 0.78   0.186% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.39 +/- 1.00   0.011% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.28 +/- 1.41   0.007% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.74 +/- 1.26   0.004% *  0.0680% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 218.4:
    * O T HA    LEU  104 - HB3   LEU  104   2.44 +/- 0.11  99.998% * 99.7454% (0.76  10.0 10.00   5.31 218.35) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  16.50 +/- 3.27   0.002% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.14 +/- 3.32   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.30 +/- 1.36   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.80 +/- 1.64   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 218.4:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.996% * 99.7433% (0.66  10.0 10.00   5.43 218.35) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.63 +/- 0.61   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.64 +/- 2.95   0.002% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  13.84 +/- 1.75   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.63 +/- 2.53   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 218.3:
    * O T HG    LEU  104 - HB3   LEU  104   2.93 +/- 0.13  95.042% * 99.5259% (0.76  10.0 10.00   5.27 218.35) =  99.998%  kept
          HD2   LYS+ 121 - HB3   LEU  104   9.48 +/- 5.72   4.301% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HB3   LEU  104   9.58 +/- 5.51   0.636% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  15.27 +/- 2.59   0.011% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  17.10 +/- 2.50   0.004% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.15 +/- 0.82   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.86 +/- 1.79   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.60 +/- 0.94   0.002% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.73 +/- 1.36   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 218.4:
    * O T QD1   LEU  104 - HB3   LEU  104   2.32 +/- 0.28  99.965% * 98.8828% (0.74  10.0 10.00   5.00 218.35) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104  10.39 +/- 1.29   0.022% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.23 +/- 1.09   0.007% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  13.56 +/- 2.30   0.004% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  17.53 +/- 2.10   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  17.78 +/- 0.95   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.32 +/- 0.88   0.002% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.45, residual support = 218.4:
    * O T QD2   LEU  104 - HB3   LEU  104   2.59 +/- 0.31  99.388% * 99.0156% (0.76  10.0 10.00   5.45 218.35) = 100.000%  kept
          QD1   LEU   98 - HB3   LEU  104   7.06 +/- 0.95   0.530% *  0.0306% (0.24   1.0  1.00   0.02   6.13) =   0.000%
        T QG1   VAL   41 - HB3   LEU  104  10.41 +/- 0.93   0.031% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.43 +/- 0.90   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.12 +/- 0.85   0.044% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.34 +/- 1.30   0.003% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.84 +/- 1.04   0.001% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 218.4:
    * O T HA    LEU  104 - HG    LEU  104   3.20 +/- 0.39  99.982% * 99.7454% (1.00  10.0 10.00   5.85 218.35) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  15.91 +/- 3.30   0.013% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  19.15 +/- 3.36   0.004% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.40 +/- 1.25   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.69 +/- 1.55   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 218.4:
    * O T HB2   LEU  104 - HG    LEU  104   2.53 +/- 0.27  99.975% * 99.7433% (0.87  10.0 10.00   6.00 218.35) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.56 +/- 0.42   0.013% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  13.84 +/- 3.13   0.008% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  14.65 +/- 1.73   0.004% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  22.37 +/- 2.35   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 218.3:
    * O T HB3   LEU  104 - HG    LEU  104   2.93 +/- 0.13  98.966% * 99.4463% (0.76  10.0 10.00   5.27 218.35) =  99.999%  kept
          QD1   LEU   71 - HG    LEU  104  11.66 +/- 1.99   0.771% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU  104   8.69 +/- 1.09   0.218% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  13.80 +/- 4.15   0.022% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.37 +/- 1.47   0.009% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  13.64 +/- 1.56   0.014% *  0.0535% (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 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 218.4:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.985% * 98.8828% (0.97  10.0 10.00   5.27 218.35) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  11.09 +/- 1.28   0.006% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  10.99 +/- 0.94   0.006% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.92 +/- 2.45   0.001% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  16.43 +/- 2.11   0.001% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  16.70 +/- 0.73   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.19 +/- 0.69   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 218.4:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.387% * 99.0156% (1.00  10.0 10.00   5.98 218.35) = 100.000%  kept
          QD1   LEU   98 - HG    LEU  104   5.35 +/- 0.73   0.561% *  0.0306% (0.31   1.0  1.00   0.02   6.13) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   8.75 +/- 1.05   0.030% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.01 +/- 0.88   0.020% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.26 +/- 1.00   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.27 +/- 1.32   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.74 +/- 1.06   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 218.4:
    *   T HA    LEU  104 - QD1   LEU  104   3.76 +/- 0.16  99.279% * 99.2875% (0.96 10.00   5.31 218.35) =  99.999%  kept
        T HA    LEU  104 - QD1   LEU   63  11.30 +/- 1.14   0.169% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  12.41 +/- 1.06   0.106% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  14.51 +/- 2.35   0.053% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.70 +/- 1.47   0.090% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  17.26 +/- 2.45   0.017% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  11.96 +/- 1.06   0.117% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.97 +/- 1.05   0.073% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  19.07 +/- 1.59   0.007% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  14.78 +/- 1.74   0.035% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.61 +/- 0.69   0.021% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.83 +/- 1.76   0.015% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.54 +/- 1.68   0.003% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.73 +/- 1.71   0.011% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.47 +/- 0.85   0.004% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.752, support = 5.27, residual support = 211.9:
    * O T HB2   LEU  104 - QD1   LEU  104   2.46 +/- 0.24  25.900% * 88.9095% (0.84  10.0 10.00   5.43 218.35) =  89.154%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  55.431% *  3.3061% (0.03  10.0 10.00   5.54 242.55) =   7.095%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.99 +/- 1.93  15.247% *  6.3480% (0.10   1.0 10.00   1.19   0.46) =   3.747%  kept
          QG2   VAL  108 - QD1   LEU   63   8.06 +/- 2.12   3.292% *  0.0182% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE  119 - QD1   LEU   73  12.03 +/- 3.02   0.087% *  0.1069% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU  104  11.30 +/- 2.60   0.005% *  0.5803% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   9.60 +/- 1.49   0.010% *  0.1638% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.10 +/- 1.02   0.003% *  0.1638% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.84 +/- 1.90   0.003% *  0.1795% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.24 +/- 0.59   0.004% *  0.0989% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.40 +/- 2.06   0.006% *  0.0331% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.18 +/- 1.85   0.009% *  0.0099% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.51 +/- 1.47   0.004% *  0.0182% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.69 +/- 2.27   0.000% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.31 +/- 3.05   0.000% *  0.0099% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.693, support = 5.05, residual support = 220.0:
    * O T HB3   LEU  104 - QD1   LEU  104   2.32 +/- 0.28  54.937% * 89.6045% (0.74  10.0 10.00   5.00 218.35) =  93.319%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.44 +/- 0.18  39.679% *  8.8779% (0.07  10.0 10.00   5.78 242.55) =   6.678%  kept
          QD1   LEU  123 - QD1   LEU   63   6.42 +/- 2.47   2.766% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU  104   9.55 +/- 1.85   0.267% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   5.08 +/- 1.04   1.320% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.57 +/- 1.32   0.214% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   6.47 +/- 1.38   0.282% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   5.82 +/- 0.65   0.260% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.94 +/- 1.70   0.008% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   7.07 +/- 0.98   0.119% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.84 +/- 3.68   0.012% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63  10.39 +/- 1.29   0.008% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.89 +/- 1.87   0.057% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.79 +/- 0.87   0.054% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.22 +/- 1.44   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.23 +/- 1.09   0.003% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.10 +/- 1.31   0.004% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.80 +/- 3.20   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 218.4:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  97.842% * 98.9901% (0.97  10.0 10.00   5.27 218.35) = 100.000%  kept
          HB3   LYS+ 121 - QD1   LEU  104   9.16 +/- 4.78   0.120% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   9.05 +/- 4.86   0.267% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.34 +/- 2.05   0.438% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.37 +/- 2.75   0.449% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   5.53 +/- 1.27   0.584% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   8.46 +/- 2.45   0.081% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  11.09 +/- 1.28   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  10.99 +/- 0.94   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.59 +/- 0.82   0.075% *  0.0125% (0.12   1.0  1.00   0.02   6.11) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.57 +/- 1.80   0.043% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.84 +/- 0.77   0.023% *  0.0176% (0.17   1.0  1.00   0.02  39.10) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.62 +/- 2.36   0.005% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.03 +/- 1.67   0.015% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.25 +/- 0.54   0.030% *  0.0045% (0.04   1.0  1.00   0.02   1.31) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.02 +/- 2.09   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.16 +/- 1.22   0.001% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.31 +/- 1.64   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.87 +/- 3.69   0.002% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.94 +/- 0.82   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.01 +/- 0.91   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.21 +/- 1.63   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.02 +/- 1.58   0.003% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.93 +/- 2.29   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  13.01 +/- 1.15   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.66 +/- 3.45   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.82 +/- 1.37   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.51, residual support = 218.3:
    * O T QD2   LEU  104 - QD1   LEU  104   2.06 +/- 0.07  66.286% * 98.3006% (0.97  10.0 10.00   5.51 218.35) =  99.988%  kept
        T QG1   VAL   41 - QD1   LEU   73   3.28 +/- 1.43  17.644% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   43 - QD1   LEU   73   3.10 +/- 0.99  14.650% *  0.0062% (0.06   1.0  1.00   0.02   9.17) =   0.001%
        T QG2   VAL   18 - QD1   LEU   63   6.15 +/- 1.03   0.186% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   7.58 +/- 1.18   0.082% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   4.92 +/- 0.86   0.709% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.67 +/- 0.72   0.213% *  0.0303% (0.30   1.0  1.00   0.02   6.13) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.35 +/- 0.50   0.037% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63  10.13 +/- 1.23   0.008% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.08 +/- 0.82   0.006% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.25 +/- 1.07   0.031% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.70 +/- 1.19   0.002% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.79 +/- 0.69   0.056% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.73 +/- 1.04   0.008% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.98 +/- 1.63   0.019% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   9.22 +/- 0.95   0.016% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.04 +/- 1.38   0.032% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.80 +/- 1.33   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.36 +/- 1.21   0.006% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.05 +/- 1.38   0.008% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.26 +/- 1.11   0.000% *  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 = 6.0, residual support = 218.4:
    *   T HA    LEU  104 - QD2   LEU  104   2.34 +/- 0.54  99.878% * 99.4871% (1.00 10.00   6.00 218.35) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41  10.68 +/- 1.07   0.033% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.19 +/- 0.64   0.041% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.18 +/- 1.05   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  13.73 +/- 2.71   0.005% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  16.42 +/- 2.77   0.002% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  15.93 +/- 2.08   0.012% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.46 +/- 1.69   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  12.85 +/- 1.08   0.010% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.50 +/- 0.82   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  17.71 +/- 1.66   0.002% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.92 +/- 1.72   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.78 +/- 1.52   0.005% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.98 +/- 1.77   0.003% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.31 +/- 1.35   0.002% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 218.4:
    * O T HB2   LEU  104 - QD2   LEU  104   3.00 +/- 0.35  97.206% * 99.4846% (0.87  10.0 10.00   6.25 218.35) = 100.000%  kept
          QG2   VAL  108 - QD2   LEU  104  10.09 +/- 0.49   0.081% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG1   VAL   41   9.45 +/- 0.88   0.147% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   6.87 +/- 1.41   1.961% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.45 +/- 1.19   0.372% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  12.20 +/- 2.57   0.046% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.39 +/- 1.00   0.011% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.01 +/- 1.65   0.034% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  13.26 +/- 1.54   0.017% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.86 +/- 2.67   0.053% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.27 +/- 2.07   0.003% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.49 +/- 1.02   0.023% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.80 +/- 1.88   0.011% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.14 +/- 1.39   0.034% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.96 +/- 2.18   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.528, support = 4.9, residual support = 165.0:
    * O T HB3   LEU  104 - QD2   LEU  104   2.59 +/- 0.31  22.235% * 83.3286% (0.76  10.0 10.00   5.45 218.35) =  62.241%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.05  74.804% * 15.0261% (0.14  10.0 10.00   4.00  77.00) =  37.758%  kept
          QD1   LEU   71 - QG1   VAL   41   4.34 +/- 1.27   2.554% *  0.0058% (0.05   1.0  1.00   0.02   3.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.99 +/- 1.08   0.031% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.54 +/- 1.78   0.025% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   7.88 +/- 1.10   0.033% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.98 +/- 1.25   0.001% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.00 +/- 0.69   0.177% *  0.0057% (0.05   1.0  1.00   0.02   2.72) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.35 +/- 1.17   0.031% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.44 +/- 1.03   0.064% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.03 +/- 3.45   0.004% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.25 +/- 0.69   0.022% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41  10.41 +/- 0.93   0.005% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.36 +/- 1.40   0.002% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.82 +/- 1.64   0.005% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.43 +/- 0.90   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.65 +/- 3.22   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.74 +/- 1.21   0.003% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 218.3:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  93.103% * 99.1829% (1.00  10.0 10.00   5.98 218.35) =  99.998%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.70 +/- 2.32   3.082% *  0.0448% (0.04   1.0  1.00   0.24   0.02) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18   4.61 +/- 1.10   2.459% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104  10.20 +/- 4.60   0.031% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104  10.12 +/- 4.78   0.084% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   5.52 +/- 1.39   1.122% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   8.75 +/- 1.05   0.028% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.15 +/- 2.10   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.62 +/- 0.91   0.012% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.26 +/- 1.00   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.81 +/- 0.68   0.020% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.24 +/- 2.04   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.95 +/- 1.21   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   7.95 +/- 0.74   0.039% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.90 +/- 1.55   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  11.96 +/- 0.68   0.003% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.07 +/- 1.89   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.28 +/- 1.14   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.59 +/- 1.25   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  15.65 +/- 1.64   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.82 +/- 1.42   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.86 +/- 2.26   0.002% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  15.28 +/- 3.77   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.67 +/- 1.13   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  15.11 +/- 3.61   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.04 +/- 1.40   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.34 +/- 2.16   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.51, residual support = 218.3:
    * O T QD1   LEU  104 - QD2   LEU  104   2.06 +/- 0.07  77.459% * 98.4528% (0.97  10.0 10.00   5.51 218.35) =  99.993%  kept
        T QD1   LEU   73 - QG1   VAL   41   3.28 +/- 1.43  22.122% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - QG2   VAL   18   6.15 +/- 1.03   0.212% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   7.58 +/- 1.18   0.091% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.13 +/- 1.23   0.009% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.08 +/- 0.82   0.007% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.35 +/- 0.50   0.042% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.70 +/- 1.19   0.002% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.73 +/- 1.04   0.009% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  13.03 +/- 1.97   0.002% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.74 +/- 1.38   0.010% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18   9.94 +/- 0.72   0.007% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.37 +/- 1.75   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  14.73 +/- 0.98   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41   9.41 +/- 0.70   0.009% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  10.37 +/- 1.90   0.006% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.37 +/- 0.75   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.23 +/- 0.85   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  10.48 +/- 1.11   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  14.28 +/- 2.27   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.96 +/- 0.55   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.16, residual support = 42.1:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.73 +/- 0.22  99.806% * 99.5527% (0.95  10.0 10.00   3.16  42.13) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.71 +/- 0.56   0.115% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  11.37 +/- 3.23   0.055% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.10 +/- 1.23   0.005% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.53 +/- 1.62   0.016% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  19.33 +/- 1.31   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  21.85 +/- 0.94   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  19.37 +/- 1.36   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.30 +/- 1.11   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.16, residual support = 42.1:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.73 +/- 0.22  99.999% * 99.7814% (0.95  10.0 10.00   3.16  42.13) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  21.91 +/- 1.23   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  24.84 +/- 1.53   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  23.60 +/- 1.49   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.30 +/- 1.66   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 136.5:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.25 +/- 0.16  98.851% * 99.1664% (1.00  10.0 10.00   6.31 136.51) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.95 +/- 0.43   1.085% *  0.0860% (0.87   1.0  1.00   0.02  20.53) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.35 +/- 1.01   0.052% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.95 +/- 1.82   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  15.09 +/- 1.91   0.002% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  16.79 +/- 2.50   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.86 +/- 1.01   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.05 +/- 0.85   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  18.38 +/- 1.31   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.46 +/- 1.07   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.19 +/- 1.25   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.85 +/- 1.12   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.29 +/- 1.11   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 136.5:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.53 +/- 0.73  99.440% * 98.2431% (1.00  10.0 10.00   5.04 136.51) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  18.06 +/- 1.27   0.009% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  10.80 +/- 2.46   0.493% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.79 +/- 1.49   0.005% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  13.79 +/- 1.09   0.053% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 136.5:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.82 +/- 0.35  98.368% * 98.5750% (1.00 10.00   4.80 136.51) =  99.997%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.36 +/- 0.95   0.184% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106  10.32 +/- 1.81   0.506% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.66 +/- 2.02   0.175% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.46 +/- 1.59   0.109% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.89 +/- 0.67   0.220% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  13.09 +/- 1.17   0.097% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.06 +/- 1.21   0.164% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  12.21 +/- 1.15   0.129% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.81 +/- 2.69   0.048% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.977, support = 5.01, residual support = 125.7:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.20 +/- 0.39  58.110% * 88.4502% (1.00 10.00   5.15 136.51) =  91.543%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.61 +/- 0.99  41.677% * 11.3934% (0.73  1.00   3.55   8.73) =   8.457%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.45 +/- 1.82   0.187% *  0.0837% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  16.05 +/- 0.88   0.020% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  19.53 +/- 1.61   0.006% *  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 = 136.5:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.31 136.51) = 100.000%  kept
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 136.5:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.29 +/- 0.13  99.955% * 98.2431% (1.00  10.0 10.00   5.33 136.51) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.75 +/- 1.66   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.91 +/- 2.19   0.040% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.34 +/- 1.19   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.16 +/- 1.14   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 136.5:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.14  99.886% * 97.1433% (1.00  10.0 10.00   5.08 136.51) = 100.000%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.85 +/- 0.89   0.011% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QB    LYS+ 106  10.11 +/- 1.63   0.023% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.42 +/- 1.88   0.015% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.68 +/- 1.98   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.75 +/- 1.58   0.010% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  11.62 +/- 1.41   0.011% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.03 +/- 0.97   0.012% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.42 +/- 0.57   0.013% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.60 +/- 1.37   0.018% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 5.36, residual support = 134.5:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.76 +/- 0.68  95.181% * 75.8936% (1.00 10.00   5.43 136.51) =  98.445%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.25 +/- 0.88   4.760% * 23.9722% (0.73 10.00   0.87   8.73) =   1.555%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.52 +/- 1.54   0.046% *  0.0718% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.50 +/- 1.22   0.010% *  0.0521% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.71 +/- 1.64   0.003% *  0.0103% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 136.5:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.53 +/- 0.73  99.985% * 99.1803% (1.00  10.0 10.00   5.04 136.51) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.79 +/- 1.49   0.005% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  18.06 +/- 1.27   0.010% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.725, support = 5.29, residual support = 134.5:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.29 +/- 0.13  26.844% * 54.3218% (1.00  10.0 10.00   5.33 136.51) =  50.664%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  28.672% * 31.1646% (0.57  10.0 10.00   5.67 150.40) =  31.045%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  44.145% * 11.9258% (0.22  10.0 10.00   4.52 101.90) =  18.291%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.70 +/- 1.94   0.092% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.52 +/- 0.54   0.063% *  0.0471% (0.87   1.0  1.00   0.02  20.53) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.12 +/- 0.59   0.101% *  0.0135% (0.25   1.0  1.00   0.02   0.28) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.97 +/- 2.78   0.074% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.18 +/- 2.00   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.56 +/- 1.25   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.37 +/- 1.28   0.002% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.34 +/- 1.19   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.75 +/- 1.66   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.03 +/- 2.88   0.001% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  18.98 +/- 3.54   0.001% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.32 +/- 0.89   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.52 +/- 2.02   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.91 +/- 0.80   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.45 +/- 2.17   0.002% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.94 +/- 1.50   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.35 +/- 1.74   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.02 +/- 1.54   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.13 +/- 1.82   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.97 +/- 1.25   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.67 +/- 2.11   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  14.55 +/- 0.67   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.95 +/- 1.72   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.45 +/- 1.34   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.72 +/- 1.49   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.80 +/- 1.62   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.27 +/- 1.57   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.13 +/- 2.04   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.46 +/- 1.10   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.03 +/- 1.62   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.61 +/- 2.66   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.42 +/- 1.15   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.19 +/- 1.03   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.20 +/- 0.74   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.98 +/- 1.73   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.35 +/- 1.66   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 136.5:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.35 +/- 0.13  99.877% * 96.6493% (1.00  10.0 10.00   4.11 136.51) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.74 +/- 1.25   0.011% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33   9.44 +/- 1.62   0.038% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.83 +/- 1.76   0.003% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.18 +/- 0.89   0.011% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.80 +/- 1.47   0.017% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.04 +/- 2.22   0.006% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.26 +/- 2.16   0.001% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.77 +/- 1.94   0.006% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.68 +/- 2.18   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  14.73 +/- 1.64   0.003% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  14.39 +/- 1.62   0.003% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.79 +/- 2.25   0.007% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  13.88 +/- 1.35   0.003% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.57 +/- 1.71   0.003% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.54 +/- 0.86   0.003% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.33 +/- 2.65   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.29 +/- 1.21   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.07 +/- 2.44   0.002% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.87 +/- 1.31   0.002% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.69 +/- 1.24   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.82 +/- 1.42   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.03 +/- 2.51   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.63 +/- 1.11   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  26.27 +/- 4.71   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.54 +/- 1.44   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.66 +/- 1.96   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.68 +/- 2.78   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.92 +/- 0.98   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  27.87 +/- 2.66   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 136.5:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.60 +/- 0.37  98.083% * 98.7341% (1.00  10.0 10.00   4.45 136.51) =  99.999%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.06 +/- 1.07   1.641% *  0.0717% (0.73   1.0  1.00   0.02   8.73) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.85 +/- 0.81   0.194% *  0.0081% (0.08   1.0  1.00   0.02   1.41) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  11.11 +/- 0.34   0.022% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81   9.99 +/- 0.75   0.044% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.29 +/- 2.05   0.005% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.63 +/- 1.85   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  16.81 +/- 2.65   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.48 +/- 1.60   0.002% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.00 +/- 1.46   0.002% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.44 +/- 2.00   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.08 +/- 1.38   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.21 +/- 1.90   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.63 +/- 0.72   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  21.63 +/- 1.21   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 136.5:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.82 +/- 0.35  99.813% * 99.1942% (0.99 10.00   4.80 136.51) =  99.998%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.36 +/- 0.95   0.187% *  0.8058% (0.81 10.00   0.02   0.02) =   0.002%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 136.5:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.31 +/- 0.14  98.339% * 96.5416% (0.99  10.0 10.00   5.08 136.51) =  99.999%  kept
          HB    ILE  103 - QD    LYS+ 106   6.63 +/- 2.10   0.809% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.32 +/- 0.75   0.351% *  0.0837% (0.86   1.0  1.00   0.02  20.53) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   7.57 +/- 1.98   0.352% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.85 +/- 0.89   0.011% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.55 +/- 1.26   0.064% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.96 +/- 1.99   0.003% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.08 +/- 2.74   0.025% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.42 +/- 0.41   0.022% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.44 +/- 3.07   0.006% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.49 +/- 1.58   0.006% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  17.47 +/- 3.22   0.002% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.70 +/- 1.39   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.71 +/- 2.39   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.45 +/- 1.42   0.004% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.41 +/- 1.44   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.46 +/- 1.42   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.21 +/- 1.78   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  17.72 +/- 1.35   0.001% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.44 +/- 1.30   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.53 +/- 1.41   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  23.13 +/- 1.30   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.35 +/- 1.12   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.72 +/- 1.21   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.82 +/- 0.77   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.76 +/- 1.48   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 136.5:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.35 +/- 0.13  99.927% * 96.1045% (0.99  10.0 10.00   4.11 136.51) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.74 +/- 1.25   0.011% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.83 +/- 1.76   0.003% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.68 +/- 2.18   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.80 +/- 2.46   0.054% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.26 +/- 2.16   0.001% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.29 +/- 1.21   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  14.92 +/- 1.49   0.002% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.29 +/- 0.98   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.82 +/- 2.53   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 136.5:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.02  99.672% * 98.7514% (0.99  10.0 10.00   3.31 136.51) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.24 +/- 0.90   0.257% *  0.0717% (0.72   1.0  1.00   0.02   8.73) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.26 +/- 1.51   0.006% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.58 +/- 0.74   0.056% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.35 +/- 1.51   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.81 +/- 1.65   0.005% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.64 +/- 1.91   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.83 +/- 1.63   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.15 +/- 1.48   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.05 +/- 2.02   0.000% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.15, residual support = 136.5:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.20 +/- 0.39 100.000% *100.0000% (1.00 10.00   5.15 136.51) = 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 = 0.992, support = 5.33, residual support = 129.4:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.76 +/- 0.68  91.611% * 53.3343% (1.00 10.00   5.43 136.51) =  93.904%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.38 +/- 1.47   6.855% * 46.2637% (0.87 10.00   3.66  20.53) =   6.095%  kept
          HB    ILE  103 - QE    LYS+ 106   7.10 +/- 2.06   1.477% *  0.0427% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+ 106  13.46 +/- 3.48   0.015% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+ 106  13.86 +/- 2.28   0.013% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  17.56 +/- 3.17   0.005% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  16.82 +/- 2.93   0.003% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.40 +/- 2.43   0.009% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.72 +/- 1.25   0.002% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.00 +/- 1.42   0.003% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.54 +/- 1.67   0.003% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.34 +/- 1.73   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.22 +/- 1.81   0.002% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 136.5:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.60 +/- 0.37  99.942% * 98.2431% (1.00  10.0 10.00   4.45 136.51) = 100.000%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.81 +/- 2.65   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+ 106  10.67 +/- 2.28   0.052% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.63 +/- 1.85   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  15.04 +/- 1.64   0.004% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 136.5:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.02  99.955% * 98.5861% (0.99  10.0 10.00   3.31 136.51) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.26 +/- 1.51   0.006% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.82 +/- 1.78   0.006% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.51 +/- 2.12   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.96 +/- 2.48   0.004% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.95 +/- 1.34   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106  10.38 +/- 1.53   0.010% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.39 +/- 2.00   0.002% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  12.54 +/- 1.61   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  15.42 +/- 2.96   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HB    VAL  107 - HA    VAL  107   2.91 +/- 0.16  99.814% * 99.6302% (0.73  10.0 10.00   3.31  60.20) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.69 +/- 1.71   0.073% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.85 +/- 1.17   0.081% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.56 +/- 0.82   0.030% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.56 +/- 0.68   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.81 +/- 1.24   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.44 +/- 0.78   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HA    VAL  107 - HB    VAL  107   2.91 +/- 0.16  99.341% * 99.7511% (0.73  10.0 10.00   3.31  60.20) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.39 +/- 1.25   0.619% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  12.47 +/- 1.37   0.020% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.04 +/- 1.11   0.009% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  14.21 +/- 1.49   0.010% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.73 +/- 0.79   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.51 +/- 0.35  96.959% * 99.4465% (1.00  10.0 10.00   3.57  65.01) =  99.997%  kept
          HB2   PRO   93 - HA    VAL  108   5.90 +/- 1.56   3.004% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  12.34 +/- 1.81   0.032% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.95 +/- 1.63   0.003% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  19.82 +/- 1.01   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.19 +/- 1.30   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.78 +/- 0.69   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.44 +/- 2.20   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.45 +/- 1.88   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.63 +/- 0.04  99.960% * 99.8607% (1.00  10.0 10.00   3.97  65.01) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  12.69 +/- 1.92   0.021% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.56 +/- 1.35   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  12.84 +/- 1.13   0.008% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.45 +/- 2.07   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T QG2   VAL  108 - HA    VAL  108   2.80 +/- 0.46  96.397% * 99.7938% (1.00  10.0 10.00   3.30  65.01) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108   9.47 +/- 1.91   3.563% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HA    VAL  108  11.61 +/- 1.23   0.031% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.71 +/- 0.44   0.009% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 65.0:
    * O T HA    VAL  108 - HB    VAL  108   2.51 +/- 0.35  98.637% * 99.8175% (1.00  10.0 10.00   3.57  65.01) = 100.000%  kept
          HA1   GLY  109 - HB    VAL  108   5.56 +/- 0.24   1.354% *  0.0308% (0.31   1.0  1.00   0.02   7.56) =   0.000%
          HA    ALA   47 - HB    VAL  108  14.13 +/- 2.46   0.006% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.39 +/- 2.68   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.36 +/- 2.40   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.989% * 99.8607% (1.00  10.0 10.00   3.73  65.01) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  13.87 +/- 2.31   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  13.52 +/- 1.42   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  13.85 +/- 1.18   0.002% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  15.97 +/- 2.41   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  99.712% * 99.1471% (1.00  10.0 10.00   3.29  65.01) =  99.998%  kept
        T QD1   ILE  119 - HB    VAL  108  10.81 +/- 2.11   0.284% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HB    VAL  108  12.94 +/- 0.49   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.63 +/- 1.10   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 3.96, residual support = 64.4:
    * O T HA    VAL  108 - QG1   VAL  108   2.63 +/- 0.04  81.250% * 95.2093% (1.00  10.0 10.00   3.97  65.01) =  98.889%  kept
          HA1   GLY  109 - QG1   VAL  108   3.39 +/- 0.19  18.705% *  4.6461% (0.31   1.0  1.00   3.16   7.56) =   1.111%  kept
          HA    ALA   47 - QG1   VAL  108  11.60 +/- 2.36   0.025% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.46 +/- 2.55   0.017% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.65 +/- 2.43   0.003% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.770% * 99.4465% (1.00  10.0 10.00   3.73  65.01) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   6.88 +/- 1.35   0.209% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.38 +/- 1.78   0.018% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.98 +/- 1.77   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.88 +/- 1.04   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.80 +/- 0.69   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.01 +/- 1.04   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.57 +/- 3.00   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.21 +/- 2.62   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.03  99.037% * 99.7938% (1.00  10.0 10.00   3.44  65.01) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108   9.78 +/- 1.87   0.957% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.51 +/- 0.41   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.30 +/- 0.80   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.0:
    * O T HA    VAL  108 - QG2   VAL  108   2.80 +/- 0.46  95.599% * 99.8175% (1.00  10.0 10.00   3.30  65.01) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.12 +/- 0.35   4.362% *  0.0308% (0.31   1.0  1.00   0.02   7.56) =   0.001%
          HA    ALA   47 - QG2   VAL  108  12.16 +/- 2.00   0.022% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  13.25 +/- 2.24   0.014% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.58 +/- 2.03   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  99.809% * 98.6316% (1.00  10.0 10.00   3.29  65.01) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.13 +/- 1.42   0.180% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.42 +/- 1.47   0.009% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.72 +/- 1.39   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.25 +/- 1.05   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.56 +/- 0.70   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.53 +/- 1.02   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.74 +/- 2.82   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.59 +/- 2.45   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.03  99.869% * 99.8607% (1.00  10.0 10.00   3.44  65.01) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  11.16 +/- 2.39   0.109% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  10.76 +/- 1.39   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  12.95 +/- 2.44   0.006% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  11.43 +/- 1.37   0.005% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.25:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.995% * 98.9563% (1.00  10.0 10.00   2.00   9.25) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.66 +/- 3.02   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.07 +/- 1.64   0.003% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.15 +/- 1.77   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  15.76 +/- 2.24   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.25:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.608% * 97.8789% (1.00  10.0 10.00   2.00   9.25) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.42 +/- 0.05   0.389% *  0.0302% (0.31   1.0  1.00   0.02   7.56) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  13.14 +/- 3.08   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  17.10 +/- 2.85   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  13.46 +/- 2.69   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  23.14 +/- 1.70   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.52 +/- 1.01   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  99.988% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  11.86 +/- 2.74   0.008% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.20 +/- 1.97   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.52 +/- 1.40   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  16.95 +/- 3.05   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  18.79 +/- 2.11   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  20.28 +/- 2.74   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.48 +/- 2.87   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  21.14 +/- 2.75   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.01 +/- 2.77   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.14 +/- 1.33   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.90 +/- 1.57   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  98.689% * 98.8162% (1.00  10.0 10.00   1.31   9.59) =  99.999%  kept
          HA    PHE   55 - QB    ALA  110   7.55 +/- 3.64   0.375% *  0.0857% (0.87   1.0  1.00   0.02   0.19) =   0.000%
          HA    ALA   91 - QB    ALA  110   7.98 +/- 2.66   0.566% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.10 +/- 1.37   0.310% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  11.86 +/- 2.74   0.008% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.86 +/- 2.10   0.013% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.59 +/- 1.30   0.017% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.64 +/- 3.12   0.010% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.85 +/- 0.85   0.004% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.88 +/- 1.84   0.003% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.05 +/- 0.95   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.54 +/- 2.24   0.003% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.5:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.73 +/- 0.22  94.944% * 98.9314% (1.00  10.0 10.00   7.98 315.54) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.68 +/- 0.53   5.033% *  0.0560% (0.57   1.0  1.00   0.02   2.25) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  11.59 +/- 1.10   0.021% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  26.61 +/- 2.16   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  23.04 +/- 1.80   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  24.38 +/- 1.70   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.37 +/- 1.94   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  22.80 +/- 2.03   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.10 +/- 2.10   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  31.14 +/- 1.93   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.34 +/- 1.83   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.23 +/- 1.76   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.42 +/- 0.38  95.034% * 99.2615% (1.00  10.0 10.00   7.31 315.54) =  99.998%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.50 +/- 2.47   4.807% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LYS+ 111  13.37 +/- 1.48   0.036% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  13.75 +/- 2.14   0.039% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  15.06 +/- 1.97   0.019% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.49 +/- 1.67   0.043% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.28 +/- 2.12   0.011% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.01 +/- 0.92   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.30 +/- 2.08   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.49 +/- 1.86   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.68 +/- 1.98   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.19 +/- 1.76   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.09 +/- 2.06   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.42 +/- 0.44  98.327% * 99.3524% (1.00  10.0 10.00   7.31 315.54) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.50 +/- 1.31   1.669% *  0.0373% (0.38   1.0  1.00   0.02  28.14) =   0.001%
        T HG2   LYS+  74 - HA    LYS+ 111  17.88 +/- 1.92   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.47 +/- 2.14   0.002% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  23.75 +/- 2.89   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.39 +/- 1.88   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.97 +/- 2.81   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  23.84 +/- 1.92   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.36 +/- 0.45  96.000% * 98.3525% (1.00 10.00   6.21 315.54) =  99.996%  kept
          HG3   PRO   93 - HA    LYS+ 111   7.97 +/- 2.42   2.304% *  0.0853% (0.87  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    LYS+ 111  10.00 +/- 2.60   1.606% *  0.0964% (0.98  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 111  12.35 +/- 1.65   0.067% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.50 +/- 1.74   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.53 +/- 1.58   0.005% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  16.83 +/- 0.86   0.008% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.22 +/- 2.55   0.004% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.11 +/- 1.93   0.002% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.84 +/- 1.92   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.13 +/- 2.00   0.002% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.13 +/- 0.42  99.276% * 98.5544% (1.00 10.00   6.21 315.54) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.93 +/- 2.07   0.571% *  0.0983% (1.00  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 111  18.53 +/- 1.58   0.017% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  17.16 +/- 2.33   0.039% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.23 +/- 0.96   0.072% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.01 +/- 1.15   0.018% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.27 +/- 2.09   0.002% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.13 +/- 2.00   0.006% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.94 +/- 0.38  99.974% * 99.8490% (1.00 10.00   5.62 315.54) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.61 +/- 1.92   0.026% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  23.10 +/- 1.81   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.5:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.73 +/- 0.22  99.964% * 99.7221% (1.00  10.0 10.00   7.98 315.54) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.66 +/- 3.04   0.036% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  26.61 +/- 2.16   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.57 +/- 2.72   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.71 +/- 0.17  98.429% * 98.9173% (1.00  10.0 10.00   7.31 315.54) = 100.000%  kept
          HB3   PRO   93 - HB2   LYS+ 111   9.68 +/- 2.25   0.612% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   GLN   30   7.08 +/- 0.84   0.843% *  0.0197% (0.20   1.0  1.00   0.02  52.11) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  13.55 +/- 1.34   0.008% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.28 +/- 1.83   0.007% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  11.58 +/- 1.13   0.021% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  14.88 +/- 2.31   0.006% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.63 +/- 1.80   0.018% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.46 +/- 1.40   0.009% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.23 +/- 1.59   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.72 +/- 2.05   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.69 +/- 0.84   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.27 +/- 1.19   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  13.39 +/- 1.28   0.009% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.43 +/- 2.33   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.25 +/- 1.26   0.003% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  17.09 +/- 2.15   0.005% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  13.31 +/- 1.19   0.010% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.51 +/- 2.18   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.00 +/- 1.69   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.16 +/- 2.53   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  17.72 +/- 1.39   0.002% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.85 +/- 1.83   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.11 +/- 4.05   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.20 +/- 2.18   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.92 +/- 1.55   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.5:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.95 +/- 0.08  97.380% * 98.4912% (1.00  10.0 10.00   7.29 315.54) = 100.000%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   8.02 +/- 1.09   0.474% *  0.0370% (0.38   1.0  1.00   0.02  28.14) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.28 +/- 2.38   0.788% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.24 +/- 1.24   1.015% *  0.0039% (0.04   1.0  1.00   0.02  14.90) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  11.09 +/- 1.34   0.052% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30   9.11 +/- 2.44   0.273% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.75 +/- 1.59   0.002% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  16.54 +/- 2.42   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.78 +/- 2.47   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  16.29 +/- 1.61   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  24.22 +/- 1.49   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.03 +/- 2.35   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.57 +/- 1.55   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.61 +/- 2.54   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.20 +/- 2.07   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.52 +/- 2.95   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.5:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.42 +/- 0.48  96.257% * 97.6852% (1.00  10.0 10.00   6.62 315.54) =  99.999%  kept
          HB2   LEU   73 - HG3   GLN   30   5.75 +/- 2.02   3.510% *  0.0176% (0.18   1.0  1.00   0.02   4.76) =   0.001%
          HG3   PRO   93 - HB2   LYS+ 111   9.36 +/- 2.32   0.129% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  11.28 +/- 2.53   0.042% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  11.11 +/- 1.92   0.032% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  16.74 +/- 2.39   0.002% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  21.25 +/- 1.62   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  15.97 +/- 1.11   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.03 +/- 0.91   0.003% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.14 +/- 1.43   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.46 +/- 2.07   0.001% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  21.86 +/- 1.68   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.63 +/- 2.03   0.013% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.58 +/- 1.60   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.01 +/- 2.11   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  17.26 +/- 2.17   0.001% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.92 +/- 2.09   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.80 +/- 2.24   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.08 +/- 2.56   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  21.63 +/- 1.62   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.50 +/- 1.85   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.94 +/- 3.92   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 6.55, residual support = 312.0:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.05 +/- 0.47  85.577% * 92.1301% (1.00  10.0 10.00   6.62 315.54) =  98.883%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.51 +/- 1.29  14.300% *  6.2279% (0.18   1.0 10.00   0.75   0.28) =   1.117%  kept
          QB    ALA   57 - HB2   LYS+ 111  12.39 +/- 1.60   0.024% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  11.55 +/- 1.33   0.041% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.99 +/- 1.73   0.018% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.14 +/- 1.43   0.002% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.23 +/- 1.34   0.003% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  17.98 +/- 1.86   0.003% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  17.26 +/- 2.17   0.004% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.22 +/- 2.11   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.63 +/- 2.03   0.023% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.54 +/- 1.46   0.003% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.32 +/- 2.75   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.50 +/- 1.85   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  26.58 +/- 4.17   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  23.32 +/- 3.49   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.5:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.53 +/- 0.54  87.589% * 99.6189% (1.00 10.00   6.06 315.54) =  99.998%  kept
          HB2   CYS   21 - HG3   GLN   30   5.78 +/- 1.39  12.346% *  0.0113% (0.11  1.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HB2   LYS+ 111  14.18 +/- 1.74   0.044% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  15.27 +/- 1.31   0.019% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  25.24 +/- 2.49   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  23.62 +/- 1.55   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.42 +/- 0.38  99.857% * 99.9354% (1.00  10.0 10.00   7.31 315.54) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.38 +/- 3.51   0.143% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.71 +/- 0.17  86.849% * 98.9314% (1.00  10.0 10.00   7.31 315.54) =  99.991%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.60 +/- 1.40  13.142% *  0.0560% (0.57   1.0  1.00   0.02   2.25) =   0.009%
          HB    ILE  119 - HG2   LYS+ 111  13.18 +/- 1.32   0.008% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  27.16 +/- 2.53   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  24.80 +/- 1.95   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  25.58 +/- 2.10   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.70 +/- 2.22   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  23.84 +/- 2.33   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.32 +/- 2.36   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.41 +/- 2.39   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.82 +/- 2.55   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.89 +/- 2.69   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.5:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.989% * 98.1828% (1.00  10.0 10.00   6.98 315.54) = 100.000%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  15.90 +/- 3.09   0.001% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   LYS+ 111   9.39 +/- 1.42   0.011% *  0.0368% (0.38   1.0  1.00   0.02  28.14) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.03 +/- 2.17   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.19 +/- 2.84   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.55 +/- 2.85   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.80 +/- 2.81   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.04 +/- 2.14   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.89 +/- 0.12  98.496% * 97.1375% (1.00  10.0 10.00   6.21 315.54) =  99.997%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  11.32 +/- 2.67   0.273% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HG2   LYS+ 111   9.15 +/- 2.58   1.062% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 111  10.74 +/- 2.72   0.163% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.95 +/- 2.64   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.57 +/- 2.40   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.99 +/- 0.96   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.45 +/- 1.70   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.87 +/- 2.74   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.73 +/- 2.63   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.04 +/- 2.57   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.35 +/- 0.15  99.990% * 97.8296% (1.00  10.0 10.00   6.21 315.54) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  18.40 +/- 2.38   0.001% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 111  12.93 +/- 1.90   0.006% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.45 +/- 1.70   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.76 +/- 1.81   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.78 +/- 2.51   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.26 +/- 1.15   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.04 +/- 2.57   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.98 +/- 0.38  99.951% * 99.8490% (1.00  10.0 10.00   5.62 315.54) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  13.90 +/- 2.34   0.048% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  23.85 +/- 2.21   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.42 +/- 0.44  99.963% * 99.8218% (1.00  10.0 10.00   7.31 315.54) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.35 +/- 3.93   0.030% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.88 +/- 1.92   0.001% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  15.07 +/- 1.79   0.006% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.5:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.95 +/- 0.08  91.497% * 98.2440% (1.00  10.0 10.00   7.29 315.54) =  99.995%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.88 +/- 0.97   7.757% *  0.0556% (0.57   1.0  1.00   0.02   2.25) =   0.005%
        T HB    ILE   19 - HG2   LYS+  74   7.34 +/- 0.70   0.554% *  0.0511% (0.05   1.0 10.00   0.02   8.65) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  11.09 +/- 1.34   0.050% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.48 +/- 0.93   0.055% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.02 +/- 1.29   0.015% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  23.55 +/- 2.33   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.75 +/- 1.59   0.002% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  10.84 +/- 0.80   0.043% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.03 +/- 2.35   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.11 +/- 0.91   0.009% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.29 +/- 0.88   0.005% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  24.31 +/- 1.99   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  15.99 +/- 1.72   0.005% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  25.37 +/- 1.97   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.59 +/- 2.15   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.26 +/- 2.28   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.91 +/- 1.63   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.90 +/- 1.75   0.003% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.69 +/- 1.58   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.25 +/- 2.28   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.74 +/- 2.29   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.31 +/- 2.31   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.80 +/- 1.24   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.5:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  96.145% * 98.9181% (1.00  10.0 10.00   6.98 315.54) =  99.999%  kept
          HB3   PRO   93 - HG3   LYS+ 111   9.13 +/- 2.61   1.879% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+  74   5.33 +/- 1.28   1.855% *  0.0077% (0.08   1.0  1.00   0.02   6.12) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  13.68 +/- 3.02   0.057% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.43 +/- 2.51   0.001% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   6.90 +/- 0.99   0.038% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74   9.78 +/- 1.35   0.005% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  14.67 +/- 1.83   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.26 +/- 2.57   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.31 +/- 1.75   0.009% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  11.46 +/- 1.77   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74   9.61 +/- 1.07   0.005% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.44 +/- 1.81   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  15.97 +/- 2.55   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.03 +/- 2.17   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.78 +/- 1.11   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.27 +/- 2.69   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.90 +/- 0.88   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  22.42 +/- 2.25   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.99 +/- 0.96   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.19 +/- 0.94   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.27 +/- 1.45   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.88 +/- 2.50   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.21 +/- 2.48   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.34 +/- 2.53   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.79 +/- 2.21   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.76 +/- 0.22  98.089% * 96.7411% (1.00  10.0 10.00   5.40 315.54) =  99.998%  kept
          HG3   PRO   93 - HG3   LYS+ 111   8.49 +/- 2.49   0.627% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG3   LYS+ 111  10.18 +/- 2.76   0.517% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.85 +/- 2.31   0.053% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.82 +/- 0.48   0.515% *  0.0093% (0.10   1.0  1.00   0.02  39.10) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  12.09 +/- 2.13   0.108% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.31 +/- 2.33   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  14.83 +/- 1.45   0.005% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.92 +/- 1.92   0.021% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.14 +/- 2.09   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  12.05 +/- 1.85   0.027% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.96 +/- 1.85   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.06 +/- 0.99   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  19.94 +/- 2.11   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.90 +/- 1.18   0.002% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.69 +/- 2.73   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  19.70 +/- 1.51   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.03 +/- 0.96   0.028% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.04 +/- 2.30   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.12 +/- 0.98   0.001% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.94 +/- 2.40   0.001% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.33 +/- 2.12   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.912, support = 5.41, residual support = 303.2:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.88 +/- 0.14  45.434% * 89.7666% (1.00  10.0 10.00   5.40 315.54) =  90.339%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.80 +/- 0.20  54.428% *  8.0133% (0.09  10.0 10.00   5.54 187.34) =   9.661%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.17 +/- 2.21   0.013% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  17.94 +/- 2.54   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.09 +/- 1.38   0.086% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.34 +/- 1.33   0.004% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.92 +/- 1.92   0.012% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.96 +/- 1.85   0.001% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.98 +/- 1.48   0.003% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.30 +/- 2.24   0.001% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.73 +/- 2.32   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.29 +/- 1.17   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.03 +/- 0.96   0.016% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.94 +/- 2.40   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.07 +/- 2.47   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.04 +/- 2.04   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.5:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.23 +/- 0.40  99.245% * 99.7265% (1.00  10.0 10.00   5.44 315.54) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   7.51 +/- 0.92   0.304% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   6.53 +/- 0.77   0.443% *  0.0060% (0.06   1.0  1.00   0.02   9.85) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  13.67 +/- 2.30   0.006% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  17.59 +/- 2.40   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  23.57 +/- 2.12   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.36 +/- 0.45  99.832% * 99.4172% (1.00 10.00   6.21 315.54) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  12.99 +/- 3.69   0.154% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.53 +/- 1.58   0.006% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.50 +/- 1.74   0.002% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.23 +/- 1.38   0.005% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.84 +/- 1.92   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  27.06 +/- 2.48   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  31.33 +/- 1.73   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.5:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.42 +/- 0.48  77.305% * 97.9440% (1.00  10.0 10.00   6.62 315.54) =  99.994%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.52 +/- 1.41   6.657% *  0.0555% (0.57   1.0  1.00   0.02   2.25) =   0.005%
          HB2   GLN   17 - QD    LYS+  65   6.58 +/- 2.34   3.066% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   4.55 +/- 2.08  12.148% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.59 +/- 2.19   0.537% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.47 +/- 2.08   0.112% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.08 +/- 1.50   0.052% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.01 +/- 1.81   0.060% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  16.74 +/- 2.39   0.002% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.99 +/- 1.45   0.006% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.03 +/- 0.91   0.002% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.14 +/- 1.43   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  21.25 +/- 1.62   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  18.33 +/- 2.78   0.003% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  17.26 +/- 2.17   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.34 +/- 1.77   0.007% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.43 +/- 1.83   0.006% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.62 +/- 1.63   0.009% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  19.60 +/- 3.31   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.08 +/- 2.56   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  18.51 +/- 3.78   0.002% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  17.01 +/- 1.47   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.07 +/- 1.89   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  17.90 +/- 1.94   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.33 +/- 1.34   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.68 +/- 2.00   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  25.15 +/- 2.04   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.53 +/- 2.39   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.59 +/- 0.80   0.005% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.15 +/- 2.18   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.23 +/- 2.38   0.003% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  25.83 +/- 2.06   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.15 +/- 2.52   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.59 +/- 2.24   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.40 +/- 0.87   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  24.57 +/- 2.07   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.25 +/- 3.90   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.92 +/- 2.09   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.75 +/- 1.76   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  19.97 +/- 1.40   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.17 +/- 0.80   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.56 +/- 2.23   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.97 +/- 2.00   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  26.69 +/- 2.19   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.39 +/- 2.16   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.17 +/- 1.23   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.94 +/- 1.31   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.65 +/- 3.87   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.874, support = 6.15, residual support = 302.5:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.89 +/- 0.12  27.759% * 90.8110% (1.00  10.0 10.00   6.21 315.54) =  86.575%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.45 +/- 0.16  71.412% *  5.4729% (0.06  10.0 10.00   5.75 218.26) =  13.422%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.77 +/- 2.54   0.117% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   8.35 +/- 1.57   0.099% *  0.2129% (0.23   1.0 10.00   0.02   1.96) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  38   6.88 +/- 1.35   0.291% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+ 102  11.22 +/- 2.75   0.036% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.79 +/- 1.29   0.157% *  0.0106% (0.12   1.0  1.00   0.02   2.86) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.29 +/- 0.62   0.054% *  0.0116% (0.13   1.0  1.00   0.02   1.31) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.10 +/- 1.94   0.003% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.20 +/- 2.17   0.009% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.65 +/- 2.25   0.002% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.20 +/- 2.94   0.003% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.88 +/- 2.37   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.35 +/- 1.42   0.006% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.63 +/- 2.13   0.018% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.57 +/- 2.40   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  14.25 +/- 2.95   0.004% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.28 +/- 1.21   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.45 +/- 1.70   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.85 +/- 1.94   0.003% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.23 +/- 0.50   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.46 +/- 2.72   0.004% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.25 +/- 2.65   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.58 +/- 4.90   0.002% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.74 +/- 2.11   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.57 +/- 1.33   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.75 +/- 2.66   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.55 +/- 2.41   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  18.75 +/- 2.50   0.001% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.31 +/- 1.21   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.22 +/- 2.17   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.76 +/- 1.55   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.89 +/- 2.02   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.77 +/- 6.15   0.002% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.45 +/- 1.80   0.002% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.78 +/- 2.20   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.68 +/- 3.07   0.001% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.07 +/- 2.22   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.73 +/- 2.63   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.23 +/- 1.74   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 1.43   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.24 +/- 2.01   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.70 +/- 1.78   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.97 +/- 1.21   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.63 +/- 1.29   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.76 +/- 1.11   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.92 +/- 0.80   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.11 +/- 1.00   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.38 +/- 1.13   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.46 +/- 0.72   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.53 +/- 1.08   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  25.10 +/- 0.83   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.76 +/- 0.22  98.156% * 98.1177% (1.00  10.0 10.00   5.40 315.54) =  99.999%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.05 +/- 1.31   0.937% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.38 +/- 1.31   0.245% *  0.0875% (0.09   1.0 10.00   0.02   1.96) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.80 +/- 1.45   0.436% *  0.0368% (0.38   1.0  1.00   0.02  28.14) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.92 +/- 1.92   0.021% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.94 +/- 2.11   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  17.28 +/- 2.99   0.004% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.64 +/- 2.42   0.030% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.16 +/- 2.12   0.060% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.23 +/- 2.23   0.015% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  19.96 +/- 1.85   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.58 +/- 1.65   0.019% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.14 +/- 2.09   0.000% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  16.17 +/- 2.46   0.004% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.53 +/- 2.30   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.85 +/- 1.44   0.015% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  19.70 +/- 1.51   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.71 +/- 1.34   0.024% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.26 +/- 1.47   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  12.24 +/- 1.07   0.016% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.66 +/- 2.20   0.005% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.12 +/- 0.98   0.001% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.09 +/- 2.96   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.11 +/- 2.64   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  18.80 +/- 2.24   0.002% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.24 +/- 2.91   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.04 +/- 2.30   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.24 +/- 1.33   0.003% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  25.63 +/- 1.88   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.15 +/- 0.99   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.28 +/- 2.26   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  28.97 +/- 2.58   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.27 +/- 0.15  99.994% * 99.2899% (1.00  10.0 10.00   4.97 315.54) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.19 +/- 2.21   0.002% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.42 +/- 2.24   0.001% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.62 +/- 1.63   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.66 +/- 1.69   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.16 +/- 1.58   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.12 +/- 1.86   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.36 +/- 2.04   0.001% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.91 +/- 1.97   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  24.84 +/- 1.89   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.70 +/- 0.77   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.26 +/- 0.78   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.13 +/- 0.42  99.534% * 98.7339% (1.00 10.00   6.21 315.54) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.45 +/- 3.80   0.429% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.53 +/- 1.58   0.017% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.27 +/- 2.09   0.002% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.23 +/- 1.38   0.017% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.12 +/- 2.49   0.002% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 315.2:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.05 +/- 0.47  64.331% * 96.6565% (1.00  10.0 10.00   6.62 315.54) =  99.905%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.51 +/- 1.29  11.970% *  0.4216% (0.44   1.0 10.00   0.02   0.28) =   0.081%
          QB    GLU- 114 - HD3   LYS+ 111   4.99 +/- 1.65  10.180% *  0.0547% (0.57   1.0  1.00   0.02   2.25) =   0.009%
          HB2   GLN   17 - QD    LYS+  65   6.58 +/- 2.34   9.102% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QD    LYS+  33   5.67 +/- 1.01   3.362% *  0.0193% (0.20   1.0  1.00   0.02   0.28) =   0.001%
          QB    GLU-  15 - QD    LYS+  33   9.16 +/- 1.54   0.151% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.33 +/- 1.62   0.290% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.47 +/- 2.08   0.259% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.08 +/- 1.50   0.134% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  11.43 +/- 1.65   0.034% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.15 +/- 1.83   0.014% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.01 +/- 1.81   0.095% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  16.18 +/- 2.41   0.004% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.90 +/- 1.91   0.013% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  17.26 +/- 2.17   0.002% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.14 +/- 1.43   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.34 +/- 1.77   0.019% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.78 +/- 1.52   0.008% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  16.45 +/- 1.77   0.003% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.22 +/- 2.11   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.62 +/- 1.63   0.016% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  28.32 +/- 2.75   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.33 +/- 1.34   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  25.77 +/- 2.30   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.70 +/- 1.43   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  26.31 +/- 2.30   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.16 +/- 2.64   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.75 +/- 1.76   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  24.97 +/- 2.38   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.74 +/- 2.75   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.03 +/- 2.94   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.97 +/- 2.00   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.65 +/- 2.45   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  26.93 +/- 2.58   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.47 +/- 2.70   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.17 +/- 1.23   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.35 +/- 0.15  99.643% * 96.9774% (1.00  10.0 10.00   6.21 315.54) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   7.77 +/- 0.85   0.100% *  0.0861% (0.89   1.0  1.00   0.02   0.56) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.20 +/- 2.54   0.125% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.29 +/- 0.62   0.065% *  0.0201% (0.21   1.0  1.00   0.02   1.31) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.21 +/- 0.54   0.016% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.66 +/- 1.53   0.004% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  15.77 +/- 2.12   0.003% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.03 +/- 2.47   0.003% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.95 +/- 1.52   0.005% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  14.94 +/- 3.18   0.004% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  15.26 +/- 1.24   0.002% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.35 +/- 1.42   0.007% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.87 +/- 1.46   0.001% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.28 +/- 1.21   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.45 +/- 1.70   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.46 +/- 2.72   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  18.07 +/- 1.40   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.78 +/- 2.51   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  18.66 +/- 1.93   0.001% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.74 +/- 2.11   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.19 +/- 2.78   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  15.99 +/- 1.15   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.90 +/- 1.93   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  20.71 +/- 4.57   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  15.97 +/- 1.11   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.80 +/- 3.01   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.15 +/- 1.25   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.45 +/- 1.80   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.92 +/- 2.20   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.04 +/- 2.92   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.68 +/- 3.07   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.23 +/- 1.74   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.24 +/- 2.01   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 1.43   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.90 +/- 1.36   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.97 +/- 1.21   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.14 +/- 2.67   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.70 +/- 1.78   0.001% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.75 +/- 2.89   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.88 +/- 0.14  94.350% * 97.4498% (1.00  10.0 10.00   5.40 315.54) =  99.998%  kept
          HG    LEU   71 - QD    LYS+  33   7.34 +/- 2.88   2.624% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  33   7.44 +/- 2.69   2.176% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  33   8.33 +/- 1.96   0.539% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.75 +/- 1.55   0.142% *  0.0366% (0.38   1.0  1.00   0.02  28.14) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.34 +/- 1.33   0.007% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.92 +/- 1.92   0.025% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  17.18 +/- 3.22   0.007% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.30 +/- 2.24   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.16 +/- 2.12   0.071% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  14.01 +/- 1.44   0.009% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  19.96 +/- 1.85   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.58 +/- 1.65   0.022% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.85 +/- 1.44   0.016% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.73 +/- 2.32   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  18.89 +/- 1.50   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.26 +/- 1.47   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.66 +/- 2.20   0.006% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.11 +/- 2.64   0.001% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.48 +/- 3.08   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.70 +/- 2.87   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.66 +/- 3.03   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.75 +/- 2.61   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  26.10 +/- 2.16   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.48 +/- 0.13  99.959% * 98.5534% (1.00  10.0 10.00   4.97 315.54) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  10.04 +/- 1.34   0.031% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  15.32 +/- 2.29   0.005% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.42 +/- 2.24   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  25.75 +/- 2.27   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.14 +/- 1.19   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.16 +/- 1.58   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.12 +/- 1.86   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.10 +/- 2.15   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.94 +/- 0.38  99.344% * 99.9354% (1.00 10.00   5.62 315.54) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  10.60 +/- 3.94   0.656% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 6.05, residual support = 315.5:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.53 +/- 0.54  87.199% * 98.9314% (1.00 10.00   6.06 315.54) =  99.992%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.21 +/- 0.98  12.730% *  0.0560% (0.57  1.00   0.02   2.25) =   0.008%
          HB    ILE  119 - QE    LYS+ 111  12.56 +/- 1.46   0.059% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  25.24 +/- 2.49   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  22.61 +/- 2.43   0.002% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  23.50 +/- 2.10   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.65 +/- 2.51   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  22.11 +/- 2.43   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.46 +/- 2.58   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.91 +/- 2.36   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.08 +/- 2.20   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.23 +/- 1.91   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.98 +/- 0.38  98.095% * 99.2615% (1.00  10.0 10.00   5.62 315.54) =  99.999%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.29 +/- 2.48   1.642% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  14.03 +/- 2.28   0.094% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.05 +/- 2.44   0.071% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  13.51 +/- 2.51   0.033% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  12.80 +/- 1.97   0.043% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.06 +/- 2.47   0.015% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.47 +/- 1.18   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.04 +/- 2.01   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.20 +/- 2.33   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.19 +/- 2.12   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.40 +/- 2.02   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.00 +/- 2.16   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.5:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.23 +/- 0.40  98.191% * 99.3524% (1.00  10.0 10.00   5.44 315.54) =  99.999%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.88 +/- 1.70   1.805% *  0.0373% (0.38   1.0  1.00   0.02  28.14) =   0.001%
        T HG2   LYS+  74 - QE    LYS+ 111  17.59 +/- 2.40   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.34 +/- 2.60   0.002% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  22.92 +/- 3.08   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.00 +/- 3.05   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.90 +/- 2.11   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  23.11 +/- 2.32   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.27 +/- 0.15  99.395% * 98.3525% (1.00  10.0 10.00   4.97 315.54) =  99.999%  kept
          HB3   MET   92 - QE    LYS+ 111   9.89 +/- 2.91   0.474% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 111   8.56 +/- 2.59   0.110% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.50 +/- 1.91   0.019% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.62 +/- 1.63   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.42 +/- 2.24   0.001% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  16.90 +/- 1.19   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.50 +/- 2.71   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.88 +/- 2.01   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.91 +/- 1.97   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.60 +/- 2.24   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.48 +/- 0.13  99.967% * 98.5544% (1.00  10.0 10.00   4.97 315.54) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.51 +/- 2.42   0.025% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.42 +/- 2.24   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  17.11 +/- 2.71   0.002% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.26 +/- 1.37   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  25.75 +/- 2.27   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.98 +/- 1.36   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.60 +/- 2.24   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.88 +/- 0.14  99.705% * 98.3538% (1.00  10.0 10.00   6.00 231.52) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   9.01 +/- 1.99   0.252% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  16.56 +/- 2.19   0.004% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.92 +/- 1.19   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.98 +/- 1.44   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.02 +/- 1.81   0.018% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.13 +/- 2.42   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  17.44 +/- 1.61   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.22 +/- 1.08   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.60 +/- 1.63   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  20.06 +/- 1.89   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  25.35 +/- 2.14   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.64 +/- 2.09   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.05 +/- 1.95   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.5:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.75 +/- 0.66  99.864% * 99.8441% (1.00  10.0 10.00   6.08 231.52) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  12.61 +/- 2.06   0.099% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  12.14 +/- 1.79   0.037% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.10 +/- 0.49  99.673% * 99.8009% (1.00  10.0 10.00   5.76 231.52) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.31 +/- 2.16   0.185% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.85 +/- 0.85   0.136% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.66 +/- 1.98   0.004% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  23.02 +/- 1.16   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.825, support = 6.05, residual support = 231.5:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.74 +/- 0.20  78.562% * 43.2573% (0.76  10.0 10.00   6.28 231.52) =  74.421%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.77 +/- 0.64  20.635% * 56.6026% (1.00   1.0 10.00   5.37 231.52) =  25.578%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.38 +/- 0.60   0.782% *  0.0212% (0.38   1.0  1.00   0.02  28.14) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  11.18 +/- 1.00   0.019% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.13 +/- 3.33   0.001% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.87 +/- 1.45   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.5:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.88 +/- 0.14  99.610% * 98.8850% (1.00  10.0 10.00   6.00 231.52) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42  10.79 +/- 4.77   0.364% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.56 +/- 2.19   0.004% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  12.90 +/- 0.80   0.013% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.32 +/- 2.19   0.004% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  16.59 +/- 1.33   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.783, support = 4.84, residual support = 126.2:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  79.534% * 40.6012% (0.70  10.0 10.00   4.15  87.78) =  73.243%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.71 +/- 0.23  20.459% * 57.6594% (1.00  10.0 10.00   6.74 231.52) =  26.756%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  13.96 +/- 2.14   0.003% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.54 +/- 2.39   0.003% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  17.92 +/- 3.23   0.001% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.03 +/- 0.46   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.57 +/- 0.30  99.297% * 98.8037% (1.00  10.0 10.00   5.76 231.52) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   7.88 +/- 1.80   0.512% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.13 +/- 1.38   0.088% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.21 +/- 2.46   0.024% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  18.60 +/- 2.72   0.002% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.31 +/- 1.07   0.037% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  11.18 +/- 1.42   0.033% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  14.31 +/- 0.73   0.004% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.53 +/- 2.31   0.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.55 +/- 1.68   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.773, support = 6.27, residual support = 231.5:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  94.173% * 42.8460% (0.76  10.0 10.00   6.28 231.52) =  96.412%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.49 +/- 0.50   2.676% * 56.0644% (1.00  10.0 10.00   6.08 231.52) =   3.585%  kept
          HB3   LEU   71 - HB    VAL   42   6.64 +/- 1.36   3.108% *  0.0468% (0.84   1.0  1.00   0.02   2.24) =   0.003%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.86 +/- 0.68   0.037% *  0.0210% (0.38   1.0  1.00   0.02  28.14) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.79 +/- 0.50   0.003% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.47 +/- 2.82   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  18.57 +/- 2.42   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.63 +/- 1.41   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.23 +/- 0.95   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.23 +/- 3.79   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  18.62 +/- 2.42   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.47 +/- 2.05   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.5:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.75 +/- 0.66  99.985% * 99.8459% (1.00  10.0 10.00   6.08 231.52) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  14.96 +/- 2.22   0.012% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.40 +/- 1.61   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.5:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.71 +/- 0.23  99.837% * 98.3538% (1.00  10.0 10.00   6.74 231.52) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.71 +/- 2.39   0.134% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  17.92 +/- 3.23   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.35 +/- 2.36   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.94 +/- 1.91   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  13.99 +/- 2.60   0.014% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.14 +/- 3.16   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  17.97 +/- 2.01   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.47 +/- 1.45   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.06 +/- 2.43   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.73 +/- 2.84   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.21 +/- 2.92   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.79 +/- 3.07   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.55 +/- 2.64   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.5:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.994% * 99.8009% (1.00  10.0 10.00   6.98 231.52) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.38 +/- 3.08   0.004% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.42 +/- 1.31   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.58 +/- 2.95   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.74 +/- 1.77   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.881, support = 6.71, residual support = 231.5:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.73 +/- 0.24  57.137% * 43.2573% (0.76  10.0 10.00   7.01 231.52) =  50.595%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.87 +/- 0.25  42.638% * 56.6026% (1.00  10.0 10.00   6.41 231.52) =  49.404%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.40 +/- 0.83   0.214% *  0.0212% (0.38   1.0  1.00   0.02  28.14) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.31 +/- 1.55   0.010% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.26 +/- 4.14   0.001% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  18.90 +/- 2.01   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.10 +/- 0.49  99.983% * 99.8459% (1.00  10.0 10.00   5.76 231.52) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  15.26 +/- 2.49   0.012% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.05 +/- 1.33   0.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.5:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.57 +/- 0.30  99.870% * 98.3538% (1.00  10.0 10.00   5.76 231.52) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.91 +/- 2.63   0.111% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  18.60 +/- 2.72   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.39 +/- 1.66   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.93 +/- 2.10   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  14.50 +/- 2.55   0.007% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.73 +/- 2.99   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.16 +/- 2.25   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.97 +/- 1.17   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.60 +/- 2.12   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  22.33 +/- 2.52   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.77 +/- 2.59   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.44 +/- 2.81   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.08 +/- 2.20   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.5:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.994% * 99.8441% (1.00  10.0 10.00   6.98 231.52) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  12.56 +/- 2.92   0.005% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  13.88 +/- 2.18   0.001% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.932, support = 5.62, residual support = 231.5:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.44 +/- 0.13  65.211% * 56.6026% (1.00  10.0 10.00   5.44 231.52) =  71.124%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.74 +/- 0.25  34.644% * 43.2573% (0.76  10.0  1.00   6.05 231.52) =  28.876%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.12 +/- 0.78   0.138% *  0.0212% (0.38   1.0  1.00   0.02  28.14) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  12.58 +/- 1.56   0.006% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.94 +/- 3.88   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.17 +/- 2.21   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 231.5:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.77 +/- 0.64  99.934% * 99.8459% (1.00 10.00   5.37 231.52) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  15.58 +/- 2.50   0.043% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  16.52 +/- 1.86   0.023% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.5:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.49 +/- 0.50  98.528% * 98.3538% (1.00  10.0 10.00   6.08 231.52) =  99.999%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.55 +/- 2.59   1.359% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HD2   LYS+ 112  18.57 +/- 2.42   0.009% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  16.94 +/- 2.30   0.016% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.11 +/- 1.48   0.009% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.72 +/- 2.29   0.050% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  18.88 +/- 2.28   0.009% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.88 +/- 2.70   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.27 +/- 1.50   0.009% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.93 +/- 1.89   0.004% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.73 +/- 2.38   0.003% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.26 +/- 2.35   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.44 +/- 2.54   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  28.51 +/- 2.08   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 231.5:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.87 +/- 0.25  99.920% * 99.8441% (1.00  10.0 10.00   6.41 231.52) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  13.16 +/- 2.92   0.069% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  13.93 +/- 1.96   0.011% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 231.5:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.44 +/- 0.13  99.976% * 99.8009% (1.00  10.0 10.00   5.44 231.52) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  12.57 +/- 2.41   0.016% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.43 +/- 1.18   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.53 +/- 2.14   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  24.61 +/- 1.92   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 13.9:
    * O T QB    ASP- 113 - HA    ASP- 113   2.48 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   2.00  13.92) = 100.000%  kept
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 13.9:
    * O T HA    ASP- 113 - QB    ASP- 113   2.48 +/- 0.09  99.960% * 99.1713% (1.00  10.0 10.00   2.00  13.92) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.26 +/- 0.92   0.014% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.38 +/- 1.15   0.024% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  14.85 +/- 0.37   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.73 +/- 1.29   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.19 +/- 1.39   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.936, support = 3.22, residual support = 48.5:
    * O T QB    GLU- 114 - HA    GLU- 114   2.24 +/- 0.09  74.387% * 63.8790% (0.97  10.0 10.00   3.12  43.81) =  96.259%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.77 +/- 0.19  22.411% *  6.0284% (0.09  10.0 10.00   6.20 226.85) =   2.737%  kept
        T QB    GLU- 114 - HA    LEU  115   4.41 +/- 0.38   1.683% * 29.3979% (0.44   1.0 10.00   4.82  16.07) =   1.002%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.07 +/- 1.09   1.071% *  0.0481% (0.73   1.0  1.00   0.02   2.25) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.70 +/- 0.20   0.283% *  0.1310% (0.20   1.0 10.00   0.02  16.07) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.81 +/- 1.18   0.153% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.07 +/- 1.45   0.009% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.73 +/- 1.04   0.001% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.75 +/- 2.28   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.36 +/- 2.07   0.000% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.62 +/- 1.31   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  18.60 +/- 1.18   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.15 +/- 1.03   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.64 +/- 1.33   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  22.62 +/- 1.47   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  22.68 +/- 1.25   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.18 +/- 1.69   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.60 +/- 1.51   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.40 +/- 1.24   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  28.58 +/- 1.33   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.64 +/- 1.98   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  25.72 +/- 1.77   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 3.68, residual support = 36.1:
    * O T QG    GLU- 114 - HA    GLU- 114   3.12 +/- 0.22  54.329% * 68.1764% (1.00  10.0 10.00   3.42  43.81) =  72.119%  kept
        T QG    GLU- 114 - HA    LEU  115   3.78 +/- 1.31  45.640% * 31.3756% (0.46   1.0 10.00   4.35  16.07) =  27.881%  kept
          HG2   MET   92 - HA    GLU- 114  15.45 +/- 2.43   0.006% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  13.65 +/- 1.57   0.011% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.96 +/- 2.36   0.005% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.91 +/- 1.74   0.009% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.89 +/- 1.74   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  23.01 +/- 1.29   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.30 +/- 1.78   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  29.93 +/- 2.30   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  33.05 +/- 1.10   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  30.34 +/- 1.22   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.22 +/- 1.37   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.14 +/- 1.36   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.96, support = 3.15, residual support = 43.4:
    * O T HA    GLU- 114 - QB    GLU- 114   2.24 +/- 0.09  97.630% * 59.0968% (0.97  10.0 10.00   3.12  43.81) =  98.381%  kept
        T HA    LEU  115 - QB    GLU- 114   4.41 +/- 0.38   2.339% * 40.5940% (0.66   1.0 10.00   4.82  16.07) =   1.619%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.47 +/- 1.45   0.003% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  10.78 +/- 2.01   0.027% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.97 +/- 1.29   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.35 +/- 1.19   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.25 +/- 1.52   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.14 +/- 1.28   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.58, residual support = 43.8:
    * O T QG    GLU- 114 - QB    GLU- 114   2.09 +/- 0.05  99.990% * 99.1187% (0.96  10.0 10.00   3.58  43.81) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  12.37 +/- 2.35   0.005% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.89 +/- 2.60   0.005% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.90 +/- 1.80   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.54 +/- 1.43   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.66 +/- 1.55   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.89 +/- 1.40   0.000% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.883, support = 3.76, residual support = 33.7:
    * O T HA    GLU- 114 - QG    GLU- 114   3.12 +/- 0.22  54.294% * 59.1519% (1.00  10.0 10.00   3.42  43.81) =  63.418%  kept
        T HA    LEU  115 - QG    GLU- 114   3.78 +/- 1.31  45.594% * 40.6319% (0.69   1.0 10.00   4.35  16.07) =  36.582%  kept
          HA    CYS   53 - QG    GLU- 114   9.91 +/- 1.97   0.098% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  12.66 +/- 1.43   0.013% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.58 +/- 0.96   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.73 +/- 1.24   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.43 +/- 1.31   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.22 +/- 1.17   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.961, support = 3.56, residual support = 43.5:
    * O T QB    GLU- 114 - QG    GLU- 114   2.09 +/- 0.05  78.032% * 94.9247% (0.96  10.0 10.00   3.58  43.81) =  99.144%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.31 +/- 1.09  17.192% *  3.7161% (0.72   1.0  1.00   1.04   2.25) =   0.855%  kept
          HB2   LEU  115 - QG    GLU- 114   4.22 +/- 1.17   4.772% *  0.0195% (0.20   1.0  1.00   0.02  16.07) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  12.42 +/- 1.28   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.06 +/- 1.78   0.000% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.13 +/- 1.38   0.000% *  0.9305% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  18.47 +/- 1.34   0.000% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  19.33 +/- 1.40   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  19.87 +/- 1.22   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.29 +/- 1.47   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.55 +/- 1.65   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.61, support = 5.44, residual support = 181.6:
    * O T HB2   LEU  115 - HA    LEU  115   2.77 +/- 0.19  18.841% * 63.8902% (0.84  10.0 10.00   6.20 226.85) =  69.417%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.24 +/- 0.09  62.667% *  5.3954% (0.07  10.0 10.00   3.12  43.81) =  19.498%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.84 +/- 0.24  16.462% *  9.9598% (0.13  10.0  1.00   4.76 161.90) =   9.455%  kept
        T QB    GLU- 114 - HA    LEU  115   4.41 +/- 0.38   1.432% * 19.7195% (0.26   1.0 10.00   4.82  16.07) =   1.628%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.70 +/- 0.20   0.241% *  0.1748% (0.23   1.0 10.00   0.02  16.07) =   0.002%
          HG3   PRO   58 - HA    ARG+  54   6.54 +/- 1.60   0.336% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    ARG+  54  11.10 +/- 0.88   0.005% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.07 +/- 1.45   0.007% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  13.47 +/- 1.45   0.002% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.14 +/- 1.51   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  14.71 +/- 1.42   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  13.40 +/- 1.37   0.002% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.01 +/- 1.49   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.73 +/- 1.04   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.36 +/- 2.07   0.000% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.14 +/- 1.34   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.25 +/- 1.69   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.62 +/- 1.31   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  18.07 +/- 1.41   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  18.62 +/- 1.67   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.04 +/- 1.65   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  19.75 +/- 2.28   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.81 +/- 1.35   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.15 +/- 1.03   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.432, support = 6.21, residual support = 226.8:
      O T HB3   LEU  115 - HA    LEU  115   2.40 +/- 0.22  81.743% * 25.2077% (0.26  10.0 10.00   6.31 226.85) =  62.763%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.48 +/- 0.58  17.255% * 70.8443% (0.72  10.0 10.00   6.04 226.85) =  37.234%  kept
        T HG    LEU  115 - HA    GLU- 114   6.74 +/- 0.79   0.231% *  0.1938% (0.20   1.0 10.00   0.02  16.07) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.26 +/- 0.38   0.282% *  0.0690% (0.07   1.0 10.00   0.02  16.07) =   0.001%
          QB    ALA  120 - HA    LEU  115   7.04 +/- 0.43   0.129% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  10.80 +/- 1.28   0.015% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   6.86 +/- 0.35   0.154% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  10.75 +/- 1.05   0.011% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.62 +/- 2.51   0.003% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.88 +/- 1.35   0.059% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  16.88 +/- 2.29   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  15.71 +/- 2.63   0.002% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.77 +/- 1.60   0.093% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  15.46 +/- 2.14   0.006% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  13.12 +/- 1.57   0.005% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.84 +/- 1.53   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.66 +/- 1.19   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.05 +/- 1.41   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  15.91 +/- 1.24   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  23.55 +/- 1.54   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.59 +/- 1.87   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.02 +/- 1.03   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.67 +/- 1.61   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.64 +/- 1.86   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  17.87 +/- 1.60   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.40 +/- 0.90   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.60 +/- 2.66   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  19.61 +/- 1.35   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.09 +/- 2.28   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  18.82 +/- 1.12   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.826, support = 6.17, residual support = 223.8:
    *   T QD1   LEU  115 - HA    LEU  115   3.62 +/- 0.60  93.477% * 78.0672% (0.84 10.00   6.20 226.85) =  98.533%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.31 +/- 0.81   5.060% * 21.3596% (0.23 10.00   4.44  16.07) =   1.459%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.35 +/- 1.02   1.340% *  0.4377% (0.47 10.00   0.02   0.02) =   0.008%
          QG1   VAL   75 - HA    ARG+  54  13.07 +/- 1.50   0.071% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  14.22 +/- 1.29   0.035% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  16.41 +/- 1.08   0.016% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.802, support = 7.38, residual support = 225.3:
    *   T QD2   LEU  115 - HA    LEU  115   2.99 +/- 0.49  92.621% * 77.6784% (0.81 10.00   7.41 226.85) =  99.244%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.94 +/- 0.41   2.559% * 21.2532% (0.22 10.00   4.44  16.07) =   0.750%  kept
          QD1   LEU   63 - HA    LEU  115   6.00 +/- 1.12   2.967% *  0.0761% (0.79  1.00   0.02   0.02) =   0.003%
        T QD2   LEU  115 - HA    ARG+  54   9.14 +/- 1.23   0.348% *  0.4355% (0.45 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU  115   7.49 +/- 1.18   0.849% *  0.0302% (0.31  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.05 +/- 2.46   0.127% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    GLU- 114   8.64 +/- 1.25   0.211% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  10.94 +/- 1.28   0.102% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  13.19 +/- 2.09   0.026% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.82 +/- 1.32   0.105% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.65 +/- 1.32   0.029% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.65 +/- 1.82   0.010% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.58 +/- 1.56   0.018% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.94 +/- 1.05   0.003% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  16.30 +/- 1.21   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  17.43 +/- 1.93   0.010% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.59 +/- 1.50   0.003% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.91 +/- 1.80   0.003% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.89 +/- 1.55   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.24 +/- 1.12   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.34 +/- 1.26   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 226.8:
    * O T HA    LEU  115 - HB2   LEU  115   2.77 +/- 0.19  98.560% * 98.0930% (0.84  10.0 10.00   6.20 226.85) =  99.994%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.70 +/- 0.20   1.409% *  0.4006% (0.34   1.0 10.00   0.02  16.07) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.10 +/- 0.88   0.028% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.42 +/- 1.04   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.58 +/- 1.67   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  24.34 +/- 2.21   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  22.01 +/- 2.08   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.53 +/- 1.96   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.57 +/- 2.21   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.434, support = 6.12, residual support = 226.8:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  90.688% * 25.8976% (0.31  10.0 10.00   6.12 226.85) =  77.632%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.62 +/- 0.24   9.297% * 72.7830% (0.87  10.0 10.00   6.13 226.85) =  22.368%  kept
          QB    ALA  120 - HB2   LEU  115   8.01 +/- 0.64   0.012% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  18.62 +/- 2.42   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  17.50 +/- 2.49   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.25 +/- 1.33   0.002% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.71 +/- 2.71   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.18 +/- 1.49   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.18 +/- 1.29   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.20 +/- 1.47   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 226.8:
    * O T QD1   LEU  115 - HB2   LEU  115   2.45 +/- 0.30  99.997% * 99.9055% (1.00  10.0 10.00   6.00 226.85) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.58 +/- 1.24   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 226.8:
    * O T QD2   LEU  115 - HB2   LEU  115   2.89 +/- 0.43  95.084% * 99.5578% (0.97  10.0 10.00   7.21 226.85) =  99.995%  kept
          QD1   LEU   63 - HB2   LEU  115   6.68 +/- 1.50   4.058% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU  115   8.30 +/- 1.70   0.839% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.00 +/- 2.52   0.007% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.93 +/- 1.85   0.008% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.38 +/- 1.25   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.08 +/- 1.36   0.002% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.04, residual support = 226.8:
    * O T HA    LEU  115 - HG    LEU  115   3.48 +/- 0.58  95.073% * 97.1402% (0.72  10.0 10.00   6.04 226.85) =  99.982%  kept
        T HA    GLU- 114 - HG    LEU  115   6.74 +/- 0.79   3.446% *  0.3967% (0.30   1.0 10.00   0.02  16.07) =   0.015%
        T HA    ARG+  54 - HG    LEU  115  10.80 +/- 1.28   0.257% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HG    LEU   40   8.74 +/- 0.68   0.630% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.46 +/- 1.31   0.470% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  15.71 +/- 2.63   0.021% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.59 +/- 1.87   0.009% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.59 +/- 0.86   0.026% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  17.05 +/- 1.16   0.009% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  16.57 +/- 6.53   0.022% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.64 +/- 1.86   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.19 +/- 0.50   0.029% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.13 +/- 2.73   0.002% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.63 +/- 2.73   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  24.32 +/- 3.07   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.81 +/- 2.64   0.001% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.67 +/- 1.17   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  30.59 +/- 3.07   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.13, residual support = 226.8:
    * O T HB2   LEU  115 - HG    LEU  115   2.62 +/- 0.24  98.775% * 98.2266% (0.87  10.0 10.00   6.13 226.85) =  99.999%  kept
          QB    GLU- 114 - HG    LEU  115   6.12 +/- 0.69   0.899% *  0.0303% (0.27   1.0  1.00   0.02  16.07) =   0.000%
        T HB2   LEU   67 - HG    LEU   40   8.91 +/- 1.47   0.091% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU  115   9.36 +/- 1.72   0.103% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  15.03 +/- 1.85   0.005% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.60 +/- 2.25   0.063% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  17.50 +/- 2.49   0.003% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.00 +/- 1.40   0.013% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.00 +/- 1.50   0.026% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  14.89 +/- 2.17   0.006% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.00 +/- 1.77   0.010% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.48 +/- 2.56   0.002% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.22 +/- 2.66   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.86 +/- 1.51   0.003% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  21.76 +/- 1.68   0.000% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.82 +/- 2.17   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 226.8:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  99.995% * 99.5358% (0.87  10.0 10.00   5.85 226.85) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  15.02 +/- 2.79   0.002% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.65 +/- 2.36   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.67 +/- 1.11   0.002% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.02, residual support = 226.8:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  95.155% * 99.0740% (0.84  10.0 10.00   7.02 226.85) =  99.998%  kept
          QD1   LEU  104 - HG    LEU   40   4.94 +/- 1.43   4.469% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   6.96 +/- 1.50   0.179% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.96 +/- 3.36   0.020% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   7.93 +/- 1.00   0.048% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   8.47 +/- 1.47   0.039% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  14.23 +/- 3.02   0.004% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   9.09 +/- 1.39   0.028% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   8.46 +/- 1.80   0.055% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  15.10 +/- 2.37   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.40 +/- 2.01   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.03 +/- 0.96   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.77 +/- 1.87   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  19.17 +/- 2.32   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.824, support = 6.16, residual support = 222.3:
    *   T HA    LEU  115 - QD1   LEU  115   3.62 +/- 0.60  93.543% * 70.2377% (0.84 10.00   6.20 226.85) =  97.822%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.31 +/- 0.81   5.063% * 28.6837% (0.34 10.00   4.44  16.07) =   2.162%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.35 +/- 1.02   1.342% *  0.7762% (0.92 10.00   0.02   0.02) =   0.016%
          HA    ALA  124 - QD1   LEU  115  14.84 +/- 1.15   0.026% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.24 +/- 2.55   0.010% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.58 +/- 2.44   0.004% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  20.46 +/- 2.68   0.005% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.22 +/- 2.39   0.005% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  25.72 +/- 2.65   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 226.8:
    * O T HB2   LEU  115 - QD1   LEU  115   2.45 +/- 0.30  97.732% * 99.6279% (1.00  10.0 10.00   6.00 226.85) =  99.999%  kept
          HG3   PRO   58 - QD1   LEU  115   7.14 +/- 1.28   0.883% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   LEU  115   5.51 +/- 0.75   1.311% *  0.0307% (0.31   1.0  1.00   0.02  16.07) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.30 +/- 1.02   0.046% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.62 +/- 1.85   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.18 +/- 2.09   0.013% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.57 +/- 1.85   0.003% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.90 +/- 2.50   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.795, support = 5.89, residual support = 226.8:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  70.357% * 72.7830% (0.87  10.0 10.00   5.85 226.85) =  86.999%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.53 +/- 0.39  29.548% * 25.8976% (0.31  10.0 10.00   6.12 226.85) =  13.001%  kept
          QB    ALA  120 - QD1   LEU  115   7.22 +/- 0.98   0.076% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.88 +/- 2.61   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  15.02 +/- 2.79   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.19 +/- 2.34   0.004% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  10.37 +/- 1.28   0.007% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.10 +/- 2.38   0.002% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  12.20 +/- 1.77   0.003% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.63 +/- 2.19   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.2, residual support = 226.8:
    * O T QD2   LEU  115 - QD1   LEU  115   2.02 +/- 0.08  98.222% * 99.5578% (0.97  10.0 10.00   7.20 226.85) =  99.998%  kept
          QD1   LEU   63 - QD1   LEU  115   5.85 +/- 1.59   1.450% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   7.14 +/- 1.74   0.260% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.35 +/- 2.99   0.063% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  13.07 +/- 1.86   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.22 +/- 1.86   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  15.93 +/- 1.97   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 7.37, residual support = 224.5:
    *   T HA    LEU  115 - QD2   LEU  115   2.99 +/- 0.49  96.904% * 70.2377% (0.81 10.00   7.41 226.85) =  98.870%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.94 +/- 0.41   2.701% * 28.6837% (0.33 10.00   4.44  16.07) =   1.125%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.14 +/- 1.23   0.368% *  0.7762% (0.89 10.00   0.02   0.02) =   0.004%
          HA    ALA  124 - QD2   LEU  115  13.14 +/- 0.98   0.020% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.93 +/- 2.79   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.56 +/- 2.48   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  18.90 +/- 2.37   0.002% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.74 +/- 2.45   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  25.17 +/- 2.79   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.21, residual support = 226.8:
    * O T HB2   LEU  115 - QD2   LEU  115   2.89 +/- 0.43  96.277% * 99.6279% (0.97  10.0 10.00   7.21 226.85) =  99.998%  kept
          HG3   PRO   58 - QD2   LEU  115   7.40 +/- 1.32   0.976% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD2   LEU  115   5.69 +/- 0.52   2.527% *  0.0307% (0.30   1.0  1.00   0.02  16.07) =   0.001%
          HB3   ARG+  54 - QD2   LEU  115  10.26 +/- 1.27   0.120% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  115  11.84 +/- 1.84   0.040% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  11.99 +/- 1.91   0.044% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.57 +/- 2.36   0.009% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.74 +/- 2.22   0.006% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.78, support = 7.05, residual support = 226.8:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  74.946% * 72.7830% (0.84  10.0 10.00   7.02 226.85) =  89.477%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.64 +/- 0.41  24.770% * 25.8976% (0.30  10.0 10.00   7.29 226.85) =  10.523%  kept
          QB    ALA  120 - QD2   LEU  115   5.83 +/- 0.87   0.247% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  15.10 +/- 2.79   0.002% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  14.23 +/- 3.02   0.003% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.94 +/- 1.13   0.017% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.36 +/- 2.39   0.009% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  13.23 +/- 2.17   0.002% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.67 +/- 1.31   0.003% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.69 +/- 2.05   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.2, residual support = 226.8:
    * O T QD1   LEU  115 - QD2   LEU  115   2.02 +/- 0.08  99.996% * 99.9055% (0.97  10.0 10.00   7.20 226.85) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.43 +/- 2.08   0.004% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 114.3:
    * O T HB2   GLN  116 - HA    GLN  116   2.87 +/- 0.10  99.913% * 98.6426% (1.00  10.0 10.00   5.26 114.26) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116  10.59 +/- 1.63   0.068% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.82 +/- 3.03   0.018% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.86 +/- 3.09   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.31 +/- 2.49   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.78 +/- 1.75   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 114.3:
    * O T HG2   GLN  116 - HA    GLN  116   2.45 +/- 0.58  99.940% * 99.8732% (1.00  10.0 10.00   4.93 114.26) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.85 +/- 2.17   0.060% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  32.06 +/- 1.85   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 0.06 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 114.3:
    * O T HA    GLN  116 - HB2   GLN  116   2.87 +/- 0.10  99.995% * 98.1197% (1.00  10.0 10.00   5.26 114.26) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.45 +/- 2.74   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  18.97 +/- 1.99   0.002% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.47 +/- 2.32   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.02 +/- 2.00   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.42 +/- 2.48   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.01 +/- 2.50   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.69 +/- 2.91   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  29.85 +/- 2.08   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 114.3:
    * O T HG2   GLN  116 - HB2   GLN  116   2.76 +/- 0.12  99.968% * 99.8732% (1.00  10.0 10.00   5.51 114.26) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  12.18 +/- 1.82   0.031% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.46 +/- 1.79   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 114.3:
    * O T HA    GLN  116 - HG2   GLN  116   2.45 +/- 0.58  99.994% * 99.5202% (1.00  10.0 10.00   4.93 114.26) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.85 +/- 3.38   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  18.42 +/- 2.27   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.28 +/- 2.68   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  19.47 +/- 2.96   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  27.24 +/- 3.54   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.22 +/- 2.85   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.39 +/- 2.13   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  30.99 +/- 2.37   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 114.3:
    * O T HB2   GLN  116 - HG2   GLN  116   2.76 +/- 0.12  99.907% * 99.6852% (1.00  10.0 10.00   5.51 114.26) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116  10.89 +/- 2.39   0.087% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  15.59 +/- 2.75   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.57 +/- 2.91   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  25.88 +/- 1.93   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.84 +/- 2.38   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 1.23, residual support = 15.2:
    * O T QB    SER  117 - HA    SER  117   2.37 +/- 0.08  98.686% * 98.0631% (1.00  10.0 10.00   1.23  15.24) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.76 +/- 0.72   0.600% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    SER  117   5.46 +/- 0.33   0.705% *  0.0403% (0.41   1.0  1.00   0.02   6.83) =   0.000%
          HA    PHE   60 - HA    SER  117  12.18 +/- 1.25   0.006% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  21.90 +/- 2.29   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.20 +/- 2.14   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.56 +/- 1.40   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.70 +/- 1.83   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.76 +/- 2.21   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.23, residual support = 15.2:
    * O T HA    SER  117 - QB    SER  117   2.37 +/- 0.08  99.882% * 99.1287% (1.00  10.0 10.00   1.23  15.24) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.32 +/- 0.93   0.101% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  14.00 +/- 1.01   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.68 +/- 0.85   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.84 +/- 1.70   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.56 +/- 1.08   0.005% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.20 +/- 2.14   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  15.81 +/- 2.14   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.00 +/- 1.44   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.70 +/- 1.83   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.64 +/- 1.23   0.000% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.54 +/- 1.33   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  26.41 +/- 1.27   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.64 +/- 2.18   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  24.85 +/- 1.76   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.62, residual support = 260.9:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.608% * 99.2403% (0.87  10.0 10.00   6.62 260.92) = 100.000%  kept
          HB    VAL  108 - HA    ILE  119  13.16 +/- 2.29   0.304% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  14.10 +/- 3.49   0.020% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.56 +/- 1.34   0.023% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  12.65 +/- 1.57   0.025% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.48 +/- 1.99   0.005% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.56 +/- 2.97   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.61 +/- 2.19   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  20.88 +/- 5.00   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.06 +/- 3.32   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.54 +/- 3.27   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  28.79 +/- 2.63   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.95, residual support = 260.9:
    * O T QG2   ILE  119 - HA    ILE  119   2.38 +/- 0.10  99.229% * 99.7168% (1.00  10.0 10.00   6.95 260.92) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   9.08 +/- 3.19   0.594% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.16 +/- 3.47   0.020% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119  10.27 +/- 4.05   0.099% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.90 +/- 3.78   0.014% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.99 +/- 3.73   0.042% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.42 +/- 1.70   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 260.9:
    * O T HG12  ILE  119 - HA    ILE  119   2.84 +/- 0.24  99.100% * 99.4466% (1.00  10.0 10.00   6.90 260.92) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   8.95 +/- 4.54   0.843% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.66 +/- 3.21   0.025% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.42 +/- 2.20   0.021% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.23 +/- 1.63   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.74 +/- 3.15   0.003% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  18.71 +/- 1.85   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.67 +/- 2.31   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.89 +/- 3.01   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.77 +/- 1.90   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.87 +/- 2.20   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 260.9:
    * O T HG13  ILE  119 - HA    ILE  119   3.00 +/- 0.52  93.613% * 99.6771% (1.00  10.0 10.00   6.45 260.92) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   6.18 +/- 2.21   4.730% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   7.12 +/- 0.32   0.724% *  0.0308% (0.31   1.0  1.00   0.02   4.40) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.49 +/- 1.68   0.863% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  11.29 +/- 1.32   0.062% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.10 +/- 1.52   0.005% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.51 +/- 3.96   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  22.34 +/- 2.06   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.04, residual support = 260.9:
    *   T QD1   ILE  119 - HA    ILE  119   3.44 +/- 0.64  99.195% * 99.2846% (0.97 10.00   6.04 260.92) =  99.999%  kept
          QG2   VAL  108 - HA    ILE  119  10.91 +/- 1.70   0.539% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    ILE  119  11.90 +/- 4.62   0.253% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.16 +/- 2.80   0.012% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.42 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.59, residual support = 257.0:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  98.127% * 50.8167% (0.87  10.0 10.00   6.62 260.92) =  98.227%  kept
        T HA    THR  118 - HB    ILE  119   5.86 +/- 0.13   1.836% * 49.0416% (0.84   1.0 10.00   4.82  40.76) =   1.773%  kept
          HA2   GLY  109 - HB    ILE  119  13.62 +/- 1.99   0.034% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  22.36 +/- 2.48   0.001% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.79 +/- 1.90   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.02 +/- 1.99   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 260.9:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.909% * 99.7168% (0.87  10.0 10.00   6.31 260.92) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119  10.42 +/- 3.02   0.076% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.70 +/- 3.05   0.002% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.42 +/- 3.16   0.002% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.33 +/- 3.39   0.007% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.53 +/- 2.98   0.003% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.10 +/- 1.64   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 260.9:
    * O T HG12  ILE  119 - HB    ILE  119   2.59 +/- 0.16  99.912% * 99.4466% (0.87  10.0 10.00   5.93 260.92) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119  10.57 +/- 3.78   0.070% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.17 +/- 2.74   0.006% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.37 +/- 1.95   0.007% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.58 +/- 2.13   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  18.98 +/- 1.70   0.001% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.25 +/- 2.69   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  21.90 +/- 1.97   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.72 +/- 2.51   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.41 +/- 1.87   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  28.16 +/- 2.09   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.73, residual support = 260.9:
    * O T HG13  ILE  119 - HB    ILE  119   2.76 +/- 0.35  96.741% * 99.4020% (0.87  10.0 10.00   5.73 260.92) =  99.995%  kept
        T QG1   VAL  107 - HB    ILE  119   6.35 +/- 1.99   2.363% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL  107 - HB    ILE  119   7.32 +/- 1.66   0.595% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   8.93 +/- 1.54   0.165% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.57 +/- 0.42   0.134% *  0.0307% (0.27   1.0  1.00   0.02   4.40) =   0.000%
          QB    ALA   20 - HB    ILE  119  17.85 +/- 1.34   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.68 +/- 3.04   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  23.44 +/- 1.91   0.000% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 260.9:
    * O T QD1   ILE  119 - HB    ILE  119   2.55 +/- 0.37  99.960% * 99.2846% (0.84  10.0 10.00   5.44 260.92) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.42 +/- 1.47   0.027% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  14.16 +/- 3.77   0.012% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.27 +/- 2.52   0.002% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.95, residual support = 260.9:
    * O T HA    ILE  119 - QG2   ILE  119   2.38 +/- 0.10  99.620% * 99.6260% (1.00  10.0 10.00   6.95 260.92) = 100.000%  kept
          HA    THR  118 - QG2   ILE  119   6.09 +/- 0.04   0.364% *  0.0961% (0.97   1.0  1.00   0.02  40.76) =   0.000%
          HA2   GLY  109 - QG2   ILE  119  12.77 +/- 1.85   0.013% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.08 +/- 2.08   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.57 +/- 1.80   0.001% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.42 +/- 2.04   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 260.9:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.929% * 99.2403% (0.87  10.0 10.00   6.31 260.92) = 100.000%  kept
          HB    VAL  108 - QG2   ILE  119  12.59 +/- 2.05   0.037% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE  119  11.35 +/- 3.21   0.011% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.65 +/- 2.01   0.005% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.16 +/- 1.12   0.005% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.13 +/- 1.27   0.006% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  13.59 +/- 2.54   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  13.20 +/- 1.91   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.57 +/- 2.74   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.99 +/- 3.97   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  18.67 +/- 2.79   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.79 +/- 2.26   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 260.9:
    * O T HG12  ILE  119 - QG2   ILE  119   3.15 +/- 0.16  99.187% * 99.4466% (1.00  10.0 10.00   6.24 260.92) = 100.000%  kept
          HB3   PHE   72 - QG2   ILE  119  10.73 +/- 2.79   0.194% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QG2   ILE  119   9.62 +/- 3.26   0.443% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  10.82 +/- 2.02   0.123% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.85 +/- 2.67   0.025% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.52 +/- 1.69   0.012% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  16.61 +/- 1.46   0.006% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  16.86 +/- 1.97   0.006% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.39 +/- 2.54   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.49 +/- 1.83   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  21.94 +/- 2.00   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 = 6.04, residual support = 260.9:
    * O T HG13  ILE  119 - QG2   ILE  119   2.53 +/- 0.27  98.655% * 99.6771% (1.00  10.0 10.00   6.04 260.92) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   6.46 +/- 1.61   0.757% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   8.66 +/- 1.42   0.131% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.22 +/- 1.36   0.301% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.69 +/- 0.26   0.150% *  0.0308% (0.31   1.0  1.00   0.02   4.40) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.12 +/- 1.42   0.004% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.32 +/- 3.02   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  19.41 +/- 1.83   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 260.9:
    *   T QD1   ILE  119 - QG2   ILE  119   1.96 +/- 0.19  99.983% * 99.8078% (0.97 10.00   5.74 260.92) = 100.000%  kept
          QG2   VAL  108 - QG2   ILE  119  10.50 +/- 1.43   0.012% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   ILE  119  12.00 +/- 3.44   0.004% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  15.14 +/- 2.46   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.86, residual support = 254.5:
    * O T HA    ILE  119 - HG12  ILE  119   2.84 +/- 0.24  96.903% * 50.8167% (1.00  10.0 10.00   6.90 260.92) =  97.080%  kept
        T HA    THR  118 - HG12  ILE  119   5.16 +/- 0.21   3.020% * 49.0416% (0.97   1.0 10.00   5.55  40.76) =   2.920%  kept
          HA2   GLY  109 - HG12  ILE  119  11.90 +/- 1.88   0.072% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  20.90 +/- 1.74   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.56 +/- 2.07   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  17.92 +/- 1.89   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.93, residual support = 260.9:
    * O T HB    ILE  119 - HG12  ILE  119   2.59 +/- 0.16  99.236% * 98.6651% (0.87  10.0 10.00   5.93 260.92) =  99.999%  kept
          HB    VAL  108 - HG12  ILE  119  11.62 +/- 2.28   0.675% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HG12  ILE  119  15.08 +/- 1.89   0.005% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  10.31 +/- 1.28   0.035% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  10.35 +/- 1.60   0.041% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  15.68 +/- 2.45   0.003% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  16.57 +/- 1.46   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  17.39 +/- 2.02   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.22 +/- 2.53   0.001% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  21.60 +/- 2.68   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.21 +/- 3.89   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  28.34 +/- 2.05   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 260.9:
    * O T QG2   ILE  119 - HG12  ILE  119   3.15 +/- 0.16  99.175% * 99.7168% (1.00  10.0 10.00   6.24 260.92) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   9.93 +/- 2.30   0.511% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.77 +/- 2.70   0.040% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.92 +/- 3.24   0.035% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  11.23 +/- 3.17   0.149% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  12.17 +/- 3.05   0.081% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.29 +/- 1.34   0.009% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 260.9:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  97.465% * 99.6771% (1.00  10.0 10.00   5.82 260.92) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.65 +/- 2.16   2.314% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.73 +/- 1.78   0.208% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   8.96 +/- 1.30   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.95 +/- 0.46   0.006% *  0.0308% (0.31   1.0  1.00   0.02   4.40) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.51 +/- 1.09   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.86 +/- 3.07   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  21.64 +/- 1.85   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.48, residual support = 260.9:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.943% * 99.8078% (0.97  10.0 10.00   5.48 260.92) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.69 +/- 1.62   0.051% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  12.93 +/- 3.61   0.005% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.09 +/- 2.53   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.42, residual support = 256.7:
    * O T HA    ILE  119 - HG13  ILE  119   3.00 +/- 0.52  97.868% * 50.8167% (1.00  10.0 10.00   6.45 260.92) =  98.095%  kept
        T HA    THR  118 - HG13  ILE  119   6.18 +/- 0.43   1.970% * 49.0416% (0.97   1.0 10.00   4.82  40.76) =   1.905%  kept
          HA2   GLY  109 - HG13  ILE  119  12.76 +/- 2.26   0.156% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.99 +/- 2.18   0.002% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.00 +/- 1.59   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  17.93 +/- 2.21   0.004% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.73, residual support = 260.9:
    * O T HB    ILE  119 - HG13  ILE  119   2.76 +/- 0.35  97.185% * 99.2403% (0.87  10.0 10.00   5.73 260.92) =  99.998%  kept
          HB    VAL  108 - HG13  ILE  119  12.54 +/- 2.68   2.711% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HG13  ILE  119  10.82 +/- 1.26   0.052% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  11.21 +/- 1.61   0.027% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.96 +/- 2.69   0.007% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  14.98 +/- 1.66   0.008% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  15.81 +/- 1.86   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.79 +/- 2.35   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.09 +/- 2.96   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  21.43 +/- 2.91   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.43 +/- 4.13   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  28.33 +/- 2.42   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 260.9:
    * O T QG2   ILE  119 - HG13  ILE  119   2.53 +/- 0.27  99.679% * 99.7168% (1.00  10.0 10.00   6.04 260.92) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   9.52 +/- 2.59   0.253% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.39 +/- 2.95   0.010% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  14.50 +/- 3.28   0.007% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  11.35 +/- 3.41   0.034% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.83 +/- 3.07   0.014% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.01 +/- 1.73   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 260.9:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.981% * 99.4466% (1.00  10.0 10.00   5.82 260.92) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119  10.05 +/- 3.66   0.014% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.24 +/- 2.18   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.26 +/- 2.90   0.002% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.33 +/- 1.47   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  17.68 +/- 1.69   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  17.00 +/- 2.55   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.47 +/- 1.94   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.77 +/- 2.69   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.38 +/- 1.82   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.13 +/- 2.08   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 260.9:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.930% * 99.8078% (0.97  10.0 10.00   5.29 260.92) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.46 +/- 1.89   0.065% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  13.52 +/- 3.72   0.004% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.23 +/- 2.78   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.03, residual support = 258.9:
    *   T HA    ILE  119 - QD1   ILE  119   3.44 +/- 0.64  94.012% * 81.6088% (0.97 10.00   6.04 260.92) =  99.097%  kept
          HA    THR  118 - QD1   ILE  119   6.17 +/- 0.24   3.868% * 18.0349% (0.93  1.00   4.58  40.76) =   0.901%  kept
          HA2   GLY  109 - QD1   ILE  119  10.63 +/- 1.85   2.073% *  0.0593% (0.70  1.00   0.02   0.02) =   0.002%
        T HA    VAL   75 - QD1   ILE  119  14.84 +/- 2.04   0.023% *  0.1429% (0.17 10.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  16.83 +/- 1.58   0.013% *  0.0809% (0.96  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.67 +/- 1.83   0.011% *  0.0732% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 260.9:
    * O T HB    ILE  119 - QD1   ILE  119   2.55 +/- 0.37  99.235% * 98.5836% (0.84  10.0 10.00   5.44 260.92) =  99.996%  kept
        T HB    VAL  108 - QD1   ILE  119  10.81 +/- 2.11   0.509% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - QD1   ILE  119   9.35 +/- 1.17   0.058% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   8.80 +/- 1.29   0.096% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  12.83 +/- 2.52   0.033% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.58 +/- 1.85   0.029% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  12.93 +/- 1.54   0.015% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.06 +/- 2.14   0.014% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.93 +/- 2.68   0.004% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  17.97 +/- 2.83   0.003% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.39 +/- 3.64   0.003% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.62 +/- 2.23   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 260.9:
    *   T QG2   ILE  119 - QD1   ILE  119   1.96 +/- 0.19  99.650% * 99.7168% (0.97 10.00   5.74 260.92) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   8.13 +/- 2.18   0.264% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.16 +/- 2.78   0.042% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.99 +/- 2.94   0.032% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.59 +/- 2.84   0.003% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.27 +/- 2.59   0.007% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.19 +/- 1.55   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 = 5.48, residual support = 260.9:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.862% * 99.4466% (0.97  10.0 10.00   5.48 260.92) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   9.18 +/- 2.91   0.073% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.28 +/- 2.11   0.034% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.25 +/- 2.55   0.023% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.16 +/- 1.42   0.003% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  14.68 +/- 1.41   0.001% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  14.25 +/- 2.22   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.95 +/- 1.71   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.58 +/- 2.56   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.71 +/- 1.68   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.58 +/- 1.71   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 260.9:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  97.057% * 99.6771% (0.97  10.0 10.00   5.29 260.92) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   5.08 +/- 1.57   1.814% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.56 +/- 1.53   0.939% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   6.94 +/- 1.64   0.169% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.00 +/- 0.44   0.019% *  0.0308% (0.30   1.0  1.00   0.02   4.40) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.19 +/- 1.34   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.75 +/- 2.94   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  18.15 +/- 1.89   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 = 2.54, residual support = 14.6:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.830% * 99.2082% (0.95  10.0 10.00   2.54  14.59) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.91 +/- 0.78   0.113% *  0.1618% (0.15   1.0 10.00   0.02   2.49) =   0.000%
          HG    LEU   67 - HA    ALA  120  13.28 +/- 5.05   0.030% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.98 +/- 1.08   0.012% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.12 +/- 0.74   0.010% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.92 +/- 2.49   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  16.11 +/- 4.93   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  15.60 +/- 4.93   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.01 +/- 2.43   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.66 +/- 2.22   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.54, residual support = 14.6:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  95.689% * 99.3786% (0.95  10.0 10.00   2.54  14.59) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.87 +/- 0.04   2.734% *  0.0759% (0.72   1.0  1.00   0.02   2.49) =   0.002%
          QB    SER  117 - QB    ALA  120   4.32 +/- 0.31   1.572% *  0.0409% (0.39   1.0  1.00   0.02   6.83) =   0.001%
          HA    LYS+  65 - QB    ALA  120  13.80 +/- 2.09   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.33 +/- 1.26   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.94 +/- 2.52   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.17 +/- 2.39   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.25 +/- 2.22   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.05 +/- 2.48   0.001% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  21.93 +/- 1.49   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.959, support = 8.16, residual support = 308.0:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.94 +/- 0.08  56.297% * 91.1605% (1.00  10.0 10.00   8.32 314.63) =  95.587%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.21 +/- 0.67  41.387% *  5.7090% (0.06   1.0 10.00   4.75 163.64) =   4.401%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.03 +/- 0.30   2.260% *  0.2814% (0.31   1.0 10.00   0.02   2.19) =   0.012%
        T QD    LYS+ 102 - HA    LYS+ 121  17.68 +/- 5.15   0.004% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.93 +/- 1.97   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  20.22 +/- 5.65   0.001% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.73 +/- 1.55   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  16.19 +/- 2.64   0.003% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  15.06 +/- 3.48   0.005% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.37 +/- 2.71   0.002% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.44 +/- 1.02   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.42 +/- 1.13   0.011% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.14 +/- 2.11   0.001% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.66 +/- 1.53   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.22 +/- 0.70   0.018% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.95 +/- 2.30   0.001% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.49 +/- 2.35   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.13 +/- 2.32   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.75 +/- 1.91   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.42 +/- 0.93   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 314.6:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.33 +/- 0.37  99.826% * 99.6412% (1.00  10.0 10.00   7.36 314.63) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.16 +/- 2.02   0.093% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.88 +/- 0.27   0.049% *  0.0308% (0.31   1.0  1.00   0.02   4.40) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  15.81 +/- 4.95   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.98 +/- 2.80   0.001% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  11.84 +/- 1.05   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.48 +/- 1.67   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.87 +/- 0.83   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.07 +/- 1.70   0.010% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  23.67 +/- 4.32   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  19.99 +/- 1.17   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.69 +/- 1.16   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 314.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.28 +/- 0.42  98.359% * 99.4380% (1.00  10.0 10.00   6.77 314.63) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.08 +/- 0.07   1.185% *  0.0484% (0.49   1.0  1.00   0.02   2.19) =   0.001%
        T QD2   LEU   73 - HA    LYS+ 121  16.86 +/- 2.82   0.009% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.56 +/- 1.34   0.051% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.53 +/- 0.85   0.110% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  11.16 +/- 3.47   0.209% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  18.12 +/- 2.73   0.007% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.05 +/- 1.17   0.066% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  23.32 +/- 4.08   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.66 +/- 1.38   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.458, support = 7.8, residual support = 299.9:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.61 +/- 0.24  53.799% * 21.3664% (0.31  10.0 10.00   8.24 314.63) =  65.214%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.90 +/- 0.36   6.388% * 69.2258% (1.00   1.0 10.00   7.67 314.63) =  25.086%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.86 +/- 0.56  39.430% *  4.3065% (0.06  10.0 10.00   5.27 163.64) =   9.634%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.17 +/- 0.35   0.334% *  3.4792% (0.05   1.0 10.00   5.46  24.94) =   0.066%
        T QD    LYS+  66 - HA    LYS+ 121  12.21 +/- 3.13   0.010% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.77 +/- 2.21   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  13.34 +/- 5.62   0.012% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  14.82 +/- 5.41   0.006% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.81 +/- 3.22   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.78 +/- 1.37   0.004% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.49 +/- 1.77   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.75 +/- 0.99   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.38 +/- 1.05   0.006% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.95 +/- 2.55   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.32 +/- 2.41   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.98 +/- 2.28   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.62 +/- 0.96   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.48 +/- 1.39   0.003% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.81 +/- 1.56   0.000% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.69 +/- 1.46   0.000% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 6.61, residual support = 288.2:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.20 +/- 0.73  85.847% * 58.7583% (1.00   6.72 314.63) =  89.983%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.02 +/- 0.42  13.702% * 40.9820% (0.84   5.61  50.44) =  10.017%  kept
          HB3   HIS  122 - HA    LYS+  65  12.56 +/- 3.34   0.314% *  0.0092% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.06 +/- 2.98   0.097% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  25.18 +/- 3.50   0.003% *  0.1201% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.31 +/- 1.10   0.027% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  28.31 +/- 3.61   0.001% *  0.0784% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  28.95 +/- 2.16   0.001% *  0.0270% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.97 +/- 1.17   0.004% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.50 +/- 1.20   0.004% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.31, residual support = 314.6:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.94 +/- 0.08  95.768% * 99.1042% (1.00  10.0 10.00   8.32 314.63) =  99.996%  kept
          QB    SER  117 - HB2   LYS+ 121   5.82 +/- 0.91   2.318% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   LYS+ 121   5.71 +/- 0.27   1.848% *  0.0757% (0.76   1.0  1.00   0.02   2.49) =   0.001%
        T HA    LYS+  65 - HB2   LYS+ 121  16.19 +/- 2.64   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.59 +/- 2.10   0.053% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  16.12 +/- 1.84   0.004% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  19.33 +/- 3.12   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.64 +/- 2.23   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.46 +/- 1.75   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  23.84 +/- 2.20   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.69, residual support = 314.6:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.88 +/- 0.18  98.288% * 99.7211% (1.00  10.0 10.00   7.69 314.63) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.27 +/- 2.12   1.158% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB2   LYS+ 121   7.17 +/- 0.49   0.469% *  0.0308% (0.31   1.0  1.00   0.02   4.40) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  13.89 +/- 5.02   0.083% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.80 +/- 1.80   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  21.85 +/- 4.46   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 314.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.70 +/- 0.23  99.787% * 99.0974% (1.00  10.0 10.00   7.12 314.63) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.01 +/- 0.14   0.164% *  0.4824% (0.49   1.0 10.00   0.02   2.19) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.90 +/- 1.55   0.043% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  15.30 +/- 2.85   0.005% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  21.34 +/- 4.20   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.593, support = 8.46, residual support = 314.6:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  82.223% * 23.0703% (0.31  10.0 10.00   8.71 314.63) =  58.818%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.55 +/- 0.72  17.769% * 74.7463% (1.00  10.0 10.00   8.09 314.63) =  41.182%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  12.03 +/- 2.95   0.002% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.62 +/- 2.31   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  12.13 +/- 5.51   0.004% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.17 +/- 2.51   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  13.73 +/- 5.11   0.002% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.27 +/- 1.93   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.01 +/- 1.65   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.24 +/- 2.35   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 = 0.985, support = 7.07, residual support = 290.2:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.77 +/- 0.32  87.431% * 58.3996% (1.00   7.17 314.63) =  90.756%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.44 +/- 0.63  12.565% * 41.3903% (0.84   6.08  50.44) =   9.244%  kept
          HG2   GLN   30 - HB2   LYS+ 121  23.19 +/- 3.60   0.002% *  0.1119% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  26.27 +/- 3.82   0.001% *  0.0730% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  26.61 +/- 1.71   0.001% *  0.0251% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 314.6:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.33 +/- 0.37  99.330% * 99.1042% (1.00  10.0 10.00   7.36 314.63) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.77 +/- 1.23   0.439% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.71 +/- 0.28   0.222% *  0.0757% (0.76   1.0  1.00   0.02   2.49) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.98 +/- 2.80   0.001% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.03 +/- 2.10   0.006% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  18.12 +/- 2.07   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  20.85 +/- 3.37   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.48 +/- 2.13   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  25.99 +/- 2.46   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.27 +/- 2.47   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.69, residual support = 314.6:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.88 +/- 0.18  99.456% * 99.4783% (1.00  10.0 10.00   7.69 314.63) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.02 +/- 0.32   0.516% *  0.0307% (0.31   1.0  1.00   0.02   2.19) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  16.55 +/- 5.43   0.012% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.70 +/- 2.13   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  19.62 +/- 5.64   0.003% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.39 +/- 2.72   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.56 +/- 2.13   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.95 +/- 1.13   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.22 +/- 2.46   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.88 +/- 2.80   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 314.6:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.3314% (1.00  10.0 10.00   6.31 314.63) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.65 +/- 0.19   0.007% *  0.0483% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.71 +/- 2.88   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.87 +/- 1.50   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.62 +/- 4.33   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.85, support = 7.18, residual support = 314.6:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.77 +/- 0.20  52.669% * 75.5250% (1.00  10.0 10.00   7.06 314.63) =  78.304%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.82 +/- 0.13  47.280% * 23.3106% (0.31  10.0 10.00   7.63 314.63) =  21.695%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  13.14 +/- 3.09   0.012% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121  12.22 +/- 5.94   0.028% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.75 +/- 1.68   0.004% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  14.44 +/- 5.37   0.007% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.59 +/- 2.44   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.60 +/- 2.16   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.38 +/- 2.70   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.76 +/- 2.47   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 314.6:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.64 +/- 0.48  98.588% * 99.7880% (1.00  10.0   6.31 314.63) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.70 +/- 1.00   1.412% *  0.0833% (0.84   1.0   0.02  50.44) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  24.82 +/- 3.72   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  27.59 +/- 4.01   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  28.80 +/- 2.13   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 314.6:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.28 +/- 0.42  94.271% * 98.4706% (1.00  10.0 10.00   6.77 314.63) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.71 +/- 0.93   2.306% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.60 +/- 0.24   0.677% *  0.0753% (0.76   1.0  1.00   0.02   2.49) =   0.001%
          HA    PHE   60 - QD2   LEU   73   9.99 +/- 1.76   2.229% *  0.0093% (0.09   1.0  1.00   0.02   0.21) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  10.53 +/- 0.85   0.104% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.15 +/- 1.40   0.113% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.86 +/- 2.82   0.008% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  18.12 +/- 2.73   0.007% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73   9.92 +/- 0.75   0.161% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.79 +/- 2.21   0.041% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  17.25 +/- 2.30   0.008% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.18 +/- 1.02   0.021% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.76 +/- 1.71   0.012% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.24 +/- 1.26   0.021% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.62 +/- 2.85   0.010% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.49 +/- 1.92   0.005% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.91 +/- 3.26   0.003% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.95 +/- 2.12   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.71 +/- 2.50   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  24.36 +/- 2.66   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 314.6:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.70 +/- 0.23  98.766% * 98.6953% (1.00  10.0 10.00   7.12 314.63) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.08 +/- 0.45   0.175% *  0.3046% (0.31   1.0 10.00   0.02   2.19) =   0.001%
          HD2   LYS+  74 - QD2   LEU   73   6.75 +/- 1.06   0.900% *  0.0204% (0.21   1.0  1.00   0.02  39.10) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  15.30 +/- 2.85   0.005% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.05 +/- 1.09   0.027% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  11.05 +/- 1.00   0.026% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.02 +/- 0.81   0.015% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.70 +/- 1.77   0.043% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  15.70 +/- 5.44   0.008% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.88 +/- 1.63   0.012% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.89 +/- 2.08   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  19.14 +/- 5.55   0.002% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.85 +/- 2.23   0.009% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.13 +/- 1.95   0.003% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.66 +/- 2.64   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.87 +/- 2.77   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.81 +/- 1.27   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.22 +/- 3.28   0.003% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.92 +/- 3.00   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.66 +/- 2.95   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 314.6:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.835% * 98.9593% (1.00  10.0 10.00   6.31 314.63) = 100.000%  kept
          QG2   VAL  107 - HG3   LYS+ 121   9.43 +/- 2.43   0.054% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.60 +/- 1.62   0.023% *  0.0938% (0.09   1.0 10.00   0.02   3.26) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  13.56 +/- 5.44   0.026% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.47 +/- 0.57   0.045% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.13 +/- 1.71   0.006% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.67 +/- 0.45   0.004% *  0.0305% (0.31   1.0  1.00   0.02   4.40) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.71 +/- 2.88   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.36 +/- 2.90   0.004% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.80 +/- 1.38   0.003% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  21.97 +/- 4.83   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.20 +/- 2.09   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.687, support = 6.73, residual support = 314.6:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.89 +/- 0.16  26.674% * 75.1260% (1.00  10.0 10.00   6.55 314.63) =  54.672%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.43 +/- 0.22  71.649% * 23.1874% (0.31  10.0 10.00   6.96 314.63) =  45.326%  kept
          QG2   THR   26 - QD2   LEU   73   5.73 +/- 1.15   0.776% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.79 +/- 0.60   0.598% *  0.0196% (0.26   1.0  1.00   0.02  39.10) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.82 +/- 1.02   0.131% *  0.0507% (0.07   1.0 10.00   0.02  39.10) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  13.62 +/- 2.84   0.004% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121  11.29 +/- 5.94   0.066% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.69 +/- 0.84   0.004% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.42 +/- 2.69   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.19 +/- 0.76   0.063% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.17 +/- 1.24   0.010% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.64 +/- 2.95   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  13.94 +/- 5.29   0.009% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.71 +/- 1.02   0.008% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.07 +/- 2.34   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.73 +/- 2.45   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  14.34 +/- 1.44   0.002% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.83 +/- 2.81   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  22.16 +/- 2.59   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.73 +/- 2.73   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 314.6:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.51 +/- 0.45  89.825% * 99.6820% (1.00  10.0   6.00 314.63) =  99.997%  kept
          HG2   GLN   30 - QD2   LEU   73   4.81 +/- 1.70   9.786% *  0.0233% (0.23   1.0   0.02   4.76) =   0.003%
          HB3   HIS  122 - HG3   LYS+ 121   7.07 +/- 0.98   0.313% *  0.0833% (0.84   1.0   0.02  50.44) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.75 +/- 1.64   0.054% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  13.52 +/- 3.73   0.010% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.22 +/- 2.69   0.007% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.16 +/- 0.97   0.004% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  24.11 +/- 3.88   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.62 +/- 4.23   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.09 +/- 2.06   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.993, support = 7.56, residual support = 305.4:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.90 +/- 0.36  73.552% * 56.2480% (1.00 10.00   7.67 314.63) =  97.042%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.91 +/- 0.78   2.916% * 42.9863% (0.76 10.00   4.12   2.49) =   2.940%  kept
          QB    SER  117 - HD2   LYS+ 121   6.32 +/- 1.60  12.746% *  0.0470% (0.84  1.00   0.02   0.02) =   0.014%
        T HA    LYS+  65 - QD    LYS+  66   6.17 +/- 0.35   4.940% *  0.0239% (0.04 10.00   0.02  24.94) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  66  12.21 +/- 3.13   0.212% *  0.0699% (0.12 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   9.67 +/- 3.65   1.778% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  16.81 +/- 3.22   0.034% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74   9.44 +/- 1.14   0.613% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.41 +/- 2.40   0.255% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   8.32 +/- 1.00   1.111% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.49 +/- 1.84   0.322% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.78 +/- 1.37   0.086% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.16 +/- 0.91   0.587% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  13.29 +/- 2.19   0.133% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  16.36 +/- 2.11   0.019% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.77 +/- 0.81   0.498% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.91 +/- 1.35   0.080% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.49 +/- 1.77   0.004% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  19.80 +/- 3.49   0.010% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  15.43 +/- 1.73   0.034% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.61 +/- 1.05   0.031% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  16.94 +/- 1.33   0.013% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  23.86 +/- 2.32   0.002% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.35 +/- 2.46   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.77 +/- 1.61   0.008% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  18.95 +/- 1.78   0.007% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  23.82 +/- 2.44   0.002% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.82 +/- 1.36   0.003% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  21.99 +/- 1.36   0.003% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  25.08 +/- 1.79   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 = 0.725, support = 6.65, residual support = 275.9:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.55 +/- 0.72  17.769% * 87.6744% (1.00  10.0 10.00   8.09 314.63) =  69.584%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  82.102% *  8.2944% (0.09  10.0  1.00   3.34 187.34) =  30.416%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.47 +/- 0.61   0.042% *  0.1088% (0.12   1.0 10.00   0.02  24.94) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.68 +/- 0.73   0.014% *  0.0271% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.89 +/- 1.91   0.002% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  12.03 +/- 2.95   0.002% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.49 +/- 1.39   0.045% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.65 +/- 2.69   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  16.15 +/- 4.91   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  19.33 +/- 5.12   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  15.50 +/- 2.30   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   9.56 +/- 4.20   0.016% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.47 +/- 2.58   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  10.98 +/- 2.16   0.004% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.27 +/- 1.93   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  16.72 +/- 2.81   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.60 +/- 1.06   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.18 +/- 1.42   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.58 +/- 1.47   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.62 +/- 2.14   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.24 +/- 2.61   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  20.46 +/- 1.77   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  12.16 +/- 0.88   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  21.95 +/- 0.71   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  19.34 +/- 2.44   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.30 +/- 0.99   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.16 +/- 2.64   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.97 +/- 1.84   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.24 +/- 1.96   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.37 +/- 1.18   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 314.6:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.77 +/- 0.20  97.385% * 99.3656% (1.00  10.0 10.00   7.06 314.63) =  99.999%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.76 +/- 1.99   0.317% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+  74   6.15 +/- 0.74   1.272% *  0.0124% (0.12   1.0  1.00   0.02   8.34) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   8.17 +/- 1.26   0.246% *  0.0307% (0.31   1.0  1.00   0.02   4.40) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  13.14 +/- 3.09   0.025% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   9.59 +/- 2.38   0.638% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  13.55 +/- 5.13   0.036% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  10.83 +/- 0.76   0.033% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.00 +/- 1.46   0.023% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.60 +/- 2.16   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.18 +/- 2.07   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  13.57 +/- 1.47   0.010% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.16 +/- 0.79   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  16.27 +/- 2.02   0.004% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.66 +/- 4.38   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.36 +/- 1.94   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.55 +/- 0.73   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.33 +/- 1.34   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 314.6:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.89 +/- 0.16  87.614% * 99.1222% (1.00  10.0 10.00   6.55 314.63) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   6.50 +/- 4.25  11.351% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.82 +/- 1.02   0.515% *  0.0527% (0.05   1.0 10.00   0.02  39.10) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.87 +/- 0.75   0.133% *  0.0482% (0.49   1.0  1.00   0.02   2.19) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.01 +/- 1.84   0.269% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.55 +/- 1.72   0.037% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.42 +/- 2.69   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  13.62 +/- 2.84   0.017% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.69 +/- 0.84   0.015% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.29 +/- 1.02   0.031% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.07 +/- 2.34   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.56 +/- 2.08   0.005% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.42 +/- 0.76   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  21.24 +/- 4.14   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.74 +/- 1.58   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.999, support = 6.5, residual support = 312.4:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.33 +/- 0.14  95.014% * 83.0662% (1.00  10.0  1.00   6.51 314.63) =  99.160%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.05 +/- 1.64   4.152% * 16.0964% (0.84   1.0  1.00   4.64  50.44) =   0.840%  kept
          HB3   HIS  122 - QD    LYS+  66   9.04 +/- 4.34   0.796% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  11.98 +/- 0.51   0.005% *  0.0890% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  12.03 +/- 3.19   0.019% *  0.0103% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.29 +/- 3.40   0.000% *  0.5706% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.11 +/- 1.32   0.011% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.94 +/- 0.96   0.000% *  0.0710% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.95 +/- 2.25   0.001% *  0.0130% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  17.00 +/- 1.87   0.001% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.19 +/- 0.58   0.001% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  26.17 +/- 3.84   0.000% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  26.99 +/- 2.25   0.000% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  25.09 +/- 1.23   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  25.07 +/- 0.78   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 68.5:
    * O T HB2   HIS  122 - HA    HIS  122   2.65 +/- 0.26  99.996% * 99.8210% (1.00  10.0 10.00   2.76  68.54) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.54 +/- 0.66   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.49 +/- 2.29   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.52, residual support = 68.3:
    * O T HB3   HIS  122 - HA    HIS  122   2.71 +/- 0.25  91.556% * 87.6703% (1.00  10.0 10.00   3.53  68.54) =  98.728%  kept
          QE    LYS+ 121 - HA    HIS  122   5.47 +/- 1.68   8.444% * 12.2484% (0.84   1.0  1.00   3.35  50.44) =   1.272%  kept
          HG2   GLN   30 - HA    HIS  122  22.61 +/- 4.40   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.15 +/- 1.91   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  26.38 +/- 4.63   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 68.5:
    * O T HA    HIS  122 - HB2   HIS  122   2.65 +/- 0.26  99.974% * 99.8702% (1.00  10.0 10.00   2.76  68.54) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  13.52 +/- 5.60   0.025% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.09 +/- 1.92   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  20.82 +/- 1.49   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 68.5:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.819% * 99.8240% (1.00  10.0 10.00   3.41  68.54) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.88 +/- 1.65   0.181% *  0.0834% (0.84   1.0  1.00   0.02  50.44) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  21.00 +/- 4.46   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.41 +/- 1.80   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  25.22 +/- 4.62   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.53, residual support = 68.5:
    * O T HA    HIS  122 - HB3   HIS  122   2.71 +/- 0.25  99.970% * 99.8702% (1.00  10.0 10.00   3.53  68.54) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  13.85 +/- 5.64   0.028% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  18.01 +/- 2.28   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.59 +/- 1.55   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 68.5:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   3.41  68.54) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.29 +/- 1.15   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.52 +/- 2.14   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 200.5:
    * O T HB2   LEU  123 - HA    LEU  123   2.97 +/- 0.07  99.590% * 98.5720% (1.00  10.0 10.00   6.10 200.50) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  14.81 +/- 6.20   0.051% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.79 +/- 0.17   0.309% *  0.0304% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  16.41 +/- 2.45   0.005% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  20.67 +/- 5.60   0.015% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  13.36 +/- 2.91   0.019% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  19.98 +/- 2.32   0.003% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.12 +/- 2.61   0.002% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  20.76 +/- 6.43   0.003% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.68 +/- 1.30   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.90 +/- 4.23   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.97 +/- 3.05   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 200.5:
    * O T HB3   LEU  123 - HA    LEU  123   2.61 +/- 0.13  99.994% * 99.6484% (1.00  10.0 10.00   5.61 200.50) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.33 +/- 1.16   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  22.84 +/- 4.82   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.49 +/- 2.74   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.41 +/- 1.29   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  22.74 +/- 2.94   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.5:
    * O T HG    LEU  123 - HA    LEU  123   3.54 +/- 0.49  82.906% * 98.6685% (0.69  10.0 10.00   5.42 200.50) =  99.986%  kept
          HG3   PRO   68 - HA    LEU  123  11.07 +/- 6.93   6.960% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.011%
          QB    LYS+  66 - HA    LEU  123   7.53 +/- 4.40   9.940% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HA    LEU  123  13.64 +/- 5.41   0.077% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.36 +/- 2.05   0.022% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  20.28 +/- 5.12   0.025% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  23.08 +/- 3.49   0.021% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.42 +/- 2.25   0.019% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  22.39 +/- 2.82   0.006% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  19.95 +/- 5.31   0.011% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  19.40 +/- 5.37   0.008% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  22.53 +/- 4.78   0.003% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  27.25 +/- 2.32   0.001% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  28.80 +/- 2.62   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.5:
    *   T QD1   LEU  123 - HA    LEU  123   2.18 +/- 0.50  95.999% * 99.6081% (1.00 10.00   6.05 200.50) =  99.996%  kept
          QG1   VAL   70 - HA    LEU  123  10.30 +/- 5.64   3.833% *  0.0919% (0.92  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HA    LEU  123  15.64 +/- 5.67   0.058% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123   9.94 +/- 4.33   0.098% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  15.08 +/- 5.54   0.009% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.01 +/- 2.64   0.003% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.5:
    *   T QD2   LEU  123 - HA    LEU  123   2.74 +/- 0.22  99.911% * 99.9316% (1.00 10.00   4.75 200.50) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.27 +/- 0.30   0.076% *  0.0486% (0.49  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HA    LEU  123  15.08 +/- 5.54   0.013% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 200.5:
    * O T HA    LEU  123 - HB2   LEU  123   2.97 +/- 0.07  99.952% * 98.7431% (1.00  10.0 10.00   6.10 200.50) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  18.73 +/- 5.54   0.004% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.20 +/- 0.57   0.022% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.14 +/- 1.48   0.008% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  18.34 +/- 5.53   0.005% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.37 +/- 1.08   0.006% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.21 +/- 4.19   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  25.86 +/- 5.38   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.27 +/- 4.12   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 200.5:
    * O T HG    LEU  123 - HB2   LEU  123   2.32 +/- 0.18  99.781% * 97.8726% (0.69  10.0 10.00   5.41 200.50) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123  13.26 +/- 6.15   0.053% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   8.78 +/- 3.89   0.145% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.68 +/- 1.98   0.002% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  12.92 +/- 5.14   0.013% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  20.38 +/- 4.60   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  19.99 +/- 4.56   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  22.08 +/- 3.06   0.001% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  19.88 +/- 4.73   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  21.98 +/- 2.67   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.46 +/- 1.74   0.002% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  23.94 +/- 4.05   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  26.34 +/- 2.56   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  28.67 +/- 2.54   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 200.5:
    * O T QD1   LEU  123 - HB2   LEU  123   2.71 +/- 0.17  99.670% * 99.6081% (1.00  10.0 10.00   5.94 200.50) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  11.79 +/- 4.91   0.119% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  17.10 +/- 5.08   0.054% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.29 +/- 4.11   0.146% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  14.86 +/- 5.10   0.009% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  15.82 +/- 2.27   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.5:
    * O T QD2   LEU  123 - HB2   LEU  123   3.03 +/- 0.21  99.653% * 99.4960% (1.00  10.0 10.00   4.85 200.50) =  99.998%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.08 +/- 0.45   0.328% *  0.4843% (0.49   1.0 10.00   0.02   2.19) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  14.86 +/- 5.10   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.5:
    * O T HA    LEU  123 - HG    LEU  123   3.54 +/- 0.49  99.741% * 99.5102% (0.69  10.0 10.00   5.42 200.50) = 100.000%  kept
          HA    ILE   56 - HG    LEU  123  13.57 +/- 1.68   0.068% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU  123  11.59 +/- 0.79   0.115% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.64 +/- 1.37   0.047% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  19.27 +/- 5.11   0.008% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  18.70 +/- 5.09   0.013% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  20.44 +/- 3.96   0.005% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  26.20 +/- 4.89   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  25.58 +/- 3.83   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 200.5:
    * O T HB2   LEU  123 - HG    LEU  123   2.32 +/- 0.18  99.886% * 96.6014% (0.69  10.0 10.00   5.41 200.50) = 100.000%  kept
        T HG3   PRO   93 - HG    LEU  123  17.89 +/- 2.70   0.004% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG    LEU  123   7.53 +/- 0.38   0.088% *  0.0298% (0.21   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  13.31 +/- 2.71   0.005% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  21.50 +/- 4.54   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.06 +/- 1.42   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  16.27 +/- 5.17   0.011% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.13 +/- 3.12   0.003% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.92 +/- 1.96   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.16 +/- 3.57   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  22.59 +/- 5.27   0.000% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.50 +/- 2.46   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.14, residual support = 200.5:
    * O T HB3   LEU  123 - HG    LEU  123   2.70 +/- 0.09  99.988% * 97.8109% (0.69  10.0 10.00   5.14 200.50) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  17.81 +/- 1.22   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  20.58 +/- 3.08   0.003% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  13.91 +/- 1.06   0.006% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  24.08 +/- 3.96   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  18.92 +/- 2.34   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.5:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.673% * 99.6081% (0.69  10.0 10.00   5.61 200.50) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  11.82 +/- 4.64   0.142% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   9.27 +/- 4.08   0.172% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.88 +/- 4.82   0.010% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  15.79 +/- 4.56   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.93 +/- 2.19   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.5:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.985% * 99.9316% (0.69  10.0 10.00   4.44 200.50) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.43 +/- 0.37   0.013% *  0.0486% (0.33   1.0  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HG    LEU  123  15.79 +/- 4.56   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 = 200.5:
    *   T HA    LEU  123 - QD1   LEU  123   2.18 +/- 0.50  99.903% * 99.5102% (1.00 10.00   6.05 200.50) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.07 +/- 1.67   0.025% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  10.41 +/- 0.59   0.035% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  15.02 +/- 4.46   0.008% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  14.45 +/- 4.42   0.012% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.71 +/- 1.35   0.013% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.69 +/- 3.35   0.003% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  20.69 +/- 4.30   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.97 +/- 3.15   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 200.5:
    * O T HB2   LEU  123 - QD1   LEU  123   2.71 +/- 0.17  98.737% * 99.3293% (1.00  10.0 10.00   5.94 200.50) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.78 +/- 0.12   1.118% *  0.0307% (0.31   1.0  1.00   0.02   2.19) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  10.17 +/- 2.23   0.063% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  12.73 +/- 4.41   0.030% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  14.71 +/- 2.04   0.011% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.86 +/- 1.90   0.016% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  17.28 +/- 3.98   0.006% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  16.59 +/- 2.25   0.006% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.59 +/- 1.13   0.005% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.53 +/- 3.18   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  17.87 +/- 4.50   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.16 +/- 2.15   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 200.5:
    * O T HB3   LEU  123 - QD1   LEU  123   3.08 +/- 0.22  99.888% * 99.6484% (1.00  10.0 10.00   5.76 200.50) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.13 +/- 1.17   0.066% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  14.82 +/- 2.20   0.014% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.22 +/- 1.16   0.008% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  16.89 +/- 2.52   0.022% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  18.91 +/- 3.43   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.43 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.5:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  94.002% * 98.8924% (0.69  10.0 10.00   5.61 200.50) =  99.998%  kept
          QB    LYS+  66 - QD1   LEU  123   5.52 +/- 3.37   5.348% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD1   LEU  123   9.75 +/- 4.89   0.605% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123  10.66 +/- 4.05   0.016% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.89 +/- 1.75   0.005% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.30 +/- 2.72   0.004% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  11.50 +/- 1.86   0.013% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  16.60 +/- 2.41   0.002% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.45 +/- 3.75   0.002% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.07 +/- 3.98   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  15.86 +/- 3.80   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  18.68 +/- 3.28   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  21.11 +/- 1.87   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.78 +/- 1.99   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 = 200.5:
    * O T QD2   LEU  123 - QD1   LEU  123   2.09 +/- 0.06  99.946% * 99.7540% (1.00  10.0 10.00   4.92 200.50) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.50 +/- 0.26   0.049% *  0.0486% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  12.52 +/- 4.00   0.005% *  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 = 200.5:
    *   T HA    LEU  123 - QD2   LEU  123   2.74 +/- 0.22  99.907% * 99.5102% (1.00 10.00   4.75 200.50) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.08 +/- 1.58   0.024% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.09 +/- 0.60   0.029% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.58 +/- 1.24   0.023% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  17.05 +/- 4.43   0.005% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  16.40 +/- 4.46   0.007% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.83 +/- 3.80   0.004% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  22.54 +/- 4.37   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  20.78 +/- 3.69   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.5:
    * O T HB2   LEU  123 - QD2   LEU  123   3.03 +/- 0.21  99.453% * 99.0560% (1.00  10.0 10.00   4.85 200.50) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.01 +/- 0.14   0.309% *  0.3057% (0.31   1.0 10.00   0.02   2.19) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  10.63 +/- 2.70   0.124% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.19 +/- 2.13   0.021% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  18.06 +/- 2.66   0.026% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  14.42 +/- 4.42   0.030% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  19.06 +/- 4.00   0.013% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.77 +/- 1.27   0.006% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.79 +/- 1.67   0.010% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.38 +/- 3.25   0.004% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  19.34 +/- 4.67   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  24.06 +/- 2.32   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 200.5:
    * O T HB3   LEU  123 - QD2   LEU  123   2.21 +/- 0.17  99.987% * 99.6484% (1.00  10.0 10.00   4.45 200.50) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  11.96 +/- 1.09   0.006% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  17.61 +/- 2.87   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.43 +/- 1.13   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.45 +/- 2.33   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  20.38 +/- 3.65   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.5:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  95.449% * 98.6685% (0.69  10.0 10.00   4.44 200.50) =  99.999%  kept
          QB    LYS+  66 - QD2   LEU  123   6.24 +/- 3.90   4.334% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD2   LEU  123  10.60 +/- 5.54   0.192% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  12.71 +/- 1.75   0.005% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  18.32 +/- 3.23   0.010% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  12.87 +/- 3.85   0.004% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  17.42 +/- 2.71   0.003% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.83 +/- 1.53   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.61 +/- 3.54   0.001% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.30 +/- 3.76   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  20.21 +/- 3.49   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.88 +/- 3.79   0.000% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  22.82 +/- 2.17   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  24.35 +/- 2.38   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 200.5:
    * O T QD1   LEU  123 - QD2   LEU  123   2.09 +/- 0.06  99.489% * 99.6081% (1.00  10.0 10.00   4.92 200.50) = 100.000%  kept
          HB3   LEU   63 - QD2   LEU  123   8.48 +/- 3.72   0.391% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  123  10.15 +/- 4.15   0.090% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.31 +/- 4.25   0.026% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.83 +/- 2.11   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  14.59 +/- 3.87   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 = 9.31:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  99.762% * 97.4620% (1.00  10.0 10.00   1.00   9.31) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.66 +/- 0.22   0.047% *  0.0730% (0.07   1.0 10.00   0.02   3.61) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.15 +/- 1.99   0.035% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.66 +/- 0.25   0.111% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.75 +/- 3.42   0.002% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.57 +/- 1.54   0.020% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  20.00 +/- 5.47   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  18.49 +/- 7.45   0.001% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  25.88 +/- 2.09   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  17.80 +/- 0.66   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.05 +/- 0.93   0.010% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  21.08 +/- 5.02   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  27.90 +/- 4.92   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.12 +/- 2.32   0.008% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.77 +/- 2.34   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.43 +/- 2.01   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  19.46 +/- 3.19   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.35 +/- 0.51   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  23.39 +/- 6.40   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.11 +/- 1.35   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.03 +/- 1.14   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  24.06 +/- 7.80   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  17.82 +/- 1.05   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  17.84 +/- 0.79   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.40 +/- 4.37   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.11 +/- 1.01   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  30.96 +/- 3.14   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.90 +/- 1.01   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.08 +/- 2.76   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.78 +/- 2.53   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.31:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  99.997% * 98.8388% (1.00  10.0 10.00   1.00   9.31) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  20.00 +/- 5.47   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  13.97 +/- 0.66   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  25.09 +/- 3.77   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.72 +/- 2.35   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  23.93 +/- 6.07   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  20.57 +/- 5.20   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.38 +/- 2.85   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 200.5:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.55 200.50) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.30 +/- 1.22   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 +/- 2.38   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  24.32 +/- 4.19   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.29 +/- 0.92   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.28 +/- 2.84   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 = 5.55, residual support = 200.5:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.986% * 96.4170% (0.99  10.0 10.00   5.55 200.50) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   8.10 +/- 0.44   0.011% *  0.0365% (0.38   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  21.74 +/- 5.19   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  14.47 +/- 2.98   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.84 +/- 1.45   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  22.45 +/- 5.98   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  16.21 +/- 5.81   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.01 +/- 2.67   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.22 +/- 3.12   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.87 +/- 2.24   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.09 +/- 2.89   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.54 +/- 3.87   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 = 5.76, residual support = 200.5:
    * O T QD1   LEU  123 - HB3   LEU  123   3.08 +/- 0.22  98.960% * 99.6081% (1.00  10.0 10.00   5.76 200.50) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU  123  12.11 +/- 5.21   0.565% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  10.99 +/- 4.36   0.379% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  17.41 +/- 5.30   0.078% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  16.06 +/- 5.22   0.011% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.28 +/- 2.48   0.007% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 200.5:
    * O T QD2   LEU  123 - HB3   LEU  123   2.21 +/- 0.17  99.973% * 99.9316% (1.00  10.0 10.00   4.45 200.50) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.51 +/- 0.48   0.024% *  0.0486% (0.49   1.0  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  16.06 +/- 5.22   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.14, residual support = 200.5:
    * O T HG    LEU  123 - HB3   LEU  123   2.70 +/- 0.09  99.320% * 95.7694% (0.69  10.0 10.00   5.14 200.50) =  99.997%  kept
        T HG3   PRO   68 - HB3   LEU  123  13.10 +/- 6.68   0.198% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB3   LEU  123   8.74 +/- 4.34   0.455% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  14.31 +/- 5.20   0.014% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  22.55 +/- 2.99   0.001% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  24.39 +/- 4.34   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.93 +/- 2.04   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  21.27 +/- 4.66   0.002% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.96 +/- 3.44   0.002% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.34 +/- 1.94   0.003% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  21.12 +/- 4.81   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  21.22 +/- 4.80   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  27.52 +/- 2.78   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.58 +/- 2.89   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 200.5:
    * O T HA    LEU  123 - HB3   LEU  123   2.61 +/- 0.13  99.983% * 99.5102% (1.00  10.0 10.00   5.61 200.50) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.29 +/- 0.80   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  15.86 +/- 1.70   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  19.61 +/- 5.72   0.002% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  19.09 +/- 5.74   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.74 +/- 1.19   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  21.28 +/- 4.60   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  26.53 +/- 5.61   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  26.08 +/- 4.54   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.988, support = 5.57, residual support = 314.6:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  94.509% * 76.1572% (1.00  10.0   5.54 314.63) =  98.242%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.52 +/- 0.72   5.478% * 23.5057% (0.31  10.0   6.97 314.63) =   1.758%  kept
          HG    LEU  104 - HD3   LYS+ 121  11.58 +/- 5.74   0.007% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  13.10 +/- 3.21   0.003% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  13.85 +/- 5.16   0.001% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.95 +/- 2.94   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  13.62 +/- 2.07   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.08 +/- 3.10   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.68 +/- 2.72   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.26 +/- 2.63   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 314.6:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.68 +/- 0.33  99.544% * 99.7211% (1.00  10.0   6.28 314.63) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.87 +/- 2.08   0.262% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   8.90 +/- 0.85   0.125% *  0.0308% (0.31   1.0   0.02   4.40) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  13.51 +/- 5.30   0.067% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.58 +/- 2.37   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.79 +/- 4.73   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 314.6:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.63 +/- 0.28  99.914% * 98.9917% (1.00  10.0 10.00   5.98 314.63) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.93 +/- 1.54   0.016% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.49 +/- 0.65   0.065% *  0.0482% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.68 +/- 3.15   0.004% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  21.39 +/- 4.47   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 314.6:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.14 +/- 0.23  99.550% * 99.2313% (1.00  10.0  1.00   7.06 314.63) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.34 +/- 0.71   0.388% *  0.0306% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  15.46 +/- 2.32   0.013% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.21 +/- 2.52   0.008% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  15.99 +/- 5.12   0.015% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  19.39 +/- 5.18   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  17.05 +/- 2.60   0.010% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  18.89 +/- 2.90   0.004% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.06 +/- 1.25   0.007% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.34 +/- 3.16   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 314.6:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.40 +/- 0.16  98.566% * 99.7880% (1.00  10.0   5.90 314.63) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.79 +/- 1.76   1.433% *  0.0833% (0.84   1.0   0.02  50.44) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  23.59 +/- 3.91   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.32 +/- 4.25   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.32 +/- 2.25   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 314.5:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.32 +/- 0.42  74.897% * 99.1042% (1.00 10.00   6.72 314.63) =  99.972%  kept
          QB    SER  117 - HD3   LYS+ 121   6.30 +/- 1.87  21.845% *  0.0828% (0.84  1.00   0.02   0.02) =   0.024%
          HA    ALA  120 - HD3   LYS+ 121   7.65 +/- 0.64   2.723% *  0.0757% (0.76  1.00   0.02   2.49) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  17.42 +/- 3.15   0.079% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.01 +/- 2.28   0.376% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.54 +/- 2.39   0.044% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.34 +/- 3.61   0.025% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.21 +/- 2.18   0.004% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.80 +/- 2.31   0.003% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  23.91 +/- 2.80   0.004% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.63, residual support = 314.6:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.82 +/- 0.13  98.470% * 99.7211% (0.84  10.0 10.00   7.63 314.63) =  99.999%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.66 +/- 2.19   1.281% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB3   LYS+ 121   8.15 +/- 0.53   0.208% *  0.0308% (0.26   1.0  1.00   0.02   4.40) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  13.82 +/- 4.91   0.038% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.39 +/- 1.88   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.95 +/- 4.46   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 6.96, residual support = 314.6:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.43 +/- 0.22  99.903% * 99.5295% (0.84  10.0 10.00   6.96 314.63) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.32 +/- 0.20   0.078% *  0.0484% (0.41   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.64 +/- 2.95   0.004% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.63 +/- 1.62   0.015% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  21.53 +/- 4.26   0.001% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.71, residual support = 314.6:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.968% * 97.1314% (0.84  10.0 10.00   8.71 314.63) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   6.81 +/- 0.37   0.031% *  0.0300% (0.26   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  16.31 +/- 4.90   0.000% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.77 +/- 1.87   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  19.49 +/- 5.29   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.43 +/- 1.44   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.80 +/- 2.65   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.62 +/- 1.23   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.61 +/- 2.39   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.46 +/- 2.61   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 = 0.826, support = 6.87, residual support = 296.5:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.91 +/- 0.39  89.462% * 60.7485% (0.84  1.00   6.99 314.63) =  93.148%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.99 +/- 1.12  10.533% * 37.9533% (0.70  1.00   5.23  50.44) =   6.852%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.61 +/- 3.66   0.002% *  1.1935% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  26.47 +/- 3.84   0.001% *  0.0779% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.22 +/- 1.98   0.001% *  0.0268% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.24, residual support = 314.6:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.61 +/- 0.24  98.217% * 99.1042% (0.84  10.0 10.00   8.24 314.63) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   5.95 +/- 0.85   1.006% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.06 +/- 0.30   0.754% *  0.0757% (0.64   1.0  1.00   0.02   2.49) =   0.001%
        T HA    LYS+  65 - HB3   LYS+ 121  16.95 +/- 2.55   0.002% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.45 +/- 1.99   0.016% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.55 +/- 1.89   0.002% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.99 +/- 3.12   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.42 +/- 2.49   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.05 +/- 1.92   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  24.04 +/- 2.30   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.808, support = 8.62, residual support = 314.6:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  82.225% * 55.3563% (0.84  10.0 10.00   8.71 314.63) =  85.663%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.55 +/- 0.72  17.769% * 42.8727% (0.65  10.0 10.00   8.09 314.63) =  14.337%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  12.03 +/- 2.95   0.002% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  12.13 +/- 5.51   0.004% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.62 +/- 2.31   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.27 +/- 1.93   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.01 +/- 1.65   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.17 +/- 2.51   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.24 +/- 2.35   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 = 0.797, support = 8.11, residual support = 310.3:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.61 +/- 0.24  53.804% * 52.0655% (0.84  10.0 10.00   8.24 314.63) =  89.000%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.90 +/- 0.36   6.388% * 40.3240% (0.65   1.0 10.00   7.67 314.63) =   8.184%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.86 +/- 0.56  39.434% *  2.2150% (0.04  10.0 10.00   5.27 163.64) =   2.775%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.17 +/- 0.35   0.334% *  3.7757% (0.06   1.0 10.00   5.46  24.94) =   0.040%
        T QD    LYS+  66 - HA    LYS+ 121  12.21 +/- 3.13   0.010% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  13.34 +/- 5.62   0.012% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.77 +/- 2.21   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.78 +/- 1.37   0.004% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.49 +/- 1.77   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.75 +/- 0.99   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.95 +/- 2.55   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.81 +/- 3.22   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.38 +/- 1.05   0.006% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.98 +/- 2.28   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.32 +/- 2.41   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.62 +/- 0.96   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.81 +/- 1.56   0.000% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.69 +/- 1.46   0.000% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.939, support = 6.63, residual support = 305.2:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.32 +/- 0.42  15.018% * 97.6597% (1.00   1.0 10.00   6.72 314.63) =  93.785%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.99 +/- 0.59  80.116% *  1.2130% (0.01  10.0 10.00   5.27 163.64) =   6.215%  kept
          QB    ALA   61 - HA    LYS+  65   5.80 +/- 0.52   2.408% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.08 +/- 0.83   2.202% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.40 +/- 4.37   0.010% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.09 +/- 2.02   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  14.67 +/- 1.49   0.010% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.42 +/- 3.15   0.007% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  14.59 +/- 4.46   0.017% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.62 +/- 3.82   0.012% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  15.10 +/- 1.31   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.35 +/- 1.57   0.054% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.34 +/- 1.23   0.017% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  25.62 +/- 4.21   0.000% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.67 +/- 0.98   0.069% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.33 +/- 2.16   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  21.71 +/- 3.73   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.55 +/- 2.43   0.014% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.27 +/- 1.80   0.012% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.40 +/- 1.44   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.00 +/- 1.02   0.005% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.59 +/- 3.70   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.70 +/- 3.17   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.90 +/- 2.76   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.03 +/- 0.80   0.011% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.17 +/- 2.48   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.34 +/- 1.33   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  21.87 +/- 1.57   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.07 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 = 6.12, residual support = 226.8:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.816% * 98.6779% (1.00  10.0 10.00   6.12 226.85) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.45 +/- 0.61   0.147% *  0.0305% (0.31   1.0  1.00   0.02  16.07) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   8.65 +/- 1.63   0.015% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.30 +/- 1.11   0.006% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.39 +/- 1.70   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.71 +/- 2.55   0.012% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.13 +/- 1.36   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.27 +/- 1.52   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.62 +/- 2.42   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.08 +/- 1.21   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.88 +/- 2.02   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.20 +/- 1.55   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.59 +/- 1.56   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  17.04 +/- 1.14   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  22.41 +/- 1.13   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.78 +/- 2.12   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 231.5:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.989% * 98.3538% (1.00  10.0 10.00   6.28 231.52) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.84 +/- 2.27   0.010% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.47 +/- 2.82   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.81 +/- 1.75   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.18 +/- 2.33   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.01 +/- 2.30   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.82 +/- 2.06   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.07 +/- 2.76   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.02 +/- 1.32   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.95 +/- 2.51   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.31 +/- 2.03   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.09 +/- 2.39   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.53 +/- 2.88   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.28 +/- 2.60   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 4.3, residual support = 231.5:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  90.262% * 56.6026% (0.95  10.0   4.18 231.52) =  92.404%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.89 +/- 0.64   9.709% * 43.2573% (0.72  10.0   5.69 231.52) =   7.596%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.33 +/- 1.44   0.028% *  0.0212% (0.36   1.0   0.02  28.14) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.95 +/- 1.70   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  23.07 +/- 3.44   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  19.78 +/- 2.16   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.85, residual support = 315.5:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  87.891% * 99.3620% (1.00  10.0   6.85 315.54) =  99.992%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.42 +/- 1.42  12.107% *  0.0563% (0.57   1.0   0.02   2.25) =   0.008%
          HB    ILE  119 - HB3   LYS+ 111  11.10 +/- 1.23   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.28 +/- 1.59   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.13 +/- 1.92   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.89 +/- 2.11   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.58 +/- 2.02   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.55 +/- 2.29   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.12 +/- 2.35   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.74 +/- 2.28   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  30.80 +/- 2.04   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.79 +/- 2.57   0.000% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.38 +/- 0.37  99.667% * 99.5482% (1.00  10.0 10.00   4.59  60.20) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.32 +/- 1.58   0.056% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.68 +/- 2.23   0.202% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.26 +/- 1.95   0.073% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  18.23 +/- 0.62   0.001% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  19.05 +/- 1.05   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.37 +/- 1.11   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.51 +/- 0.32  99.851% * 99.7501% (1.00  10.0 10.00   3.63  60.20) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  11.37 +/- 2.48   0.028% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.54 +/- 1.08   0.026% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.26 +/- 1.95   0.092% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  17.49 +/- 0.93   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.37 +/- 1.11   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.17, residual support = 41.8:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.86 +/- 0.22  91.932% * 83.8241% (1.00  10.0 10.00   3.16  42.13) =  98.565%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.51 +/- 0.31   7.213% * 15.5422% (0.87   1.0  1.00   4.28  20.53) =   1.434%  kept
          HB    ILE  103 - HA    ASP- 105   6.95 +/- 0.48   0.535% *  0.0831% (0.99   1.0  1.00   0.02   2.59) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.70 +/- 0.56   0.288% *  0.0129% (0.15   1.0  1.00   0.02   2.59) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  16.51 +/- 3.41   0.013% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  15.29 +/- 3.51   0.007% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  16.28 +/- 1.59   0.004% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  18.52 +/- 2.03   0.002% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.76 +/- 1.35   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.38 +/- 1.50   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.43 +/- 1.08   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.96 +/- 0.99   0.000% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  20.72 +/- 2.03   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.27 +/- 1.15   0.001% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.25, residual support = 42.1:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.963% * 99.5527% (0.95  10.0 10.00   3.25  42.13) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.66 +/- 1.25   0.020% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   9.85 +/- 3.96   0.015% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.56 +/- 1.24   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  11.55 +/- 1.17   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  19.39 +/- 1.17   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.40 +/- 1.13   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.65 +/- 1.10   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.74 +/- 1.49   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.9, residual support = 141.1:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.73 136.51) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.26 150.40) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.80 +/- 2.43   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  12.24 +/- 1.44   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.27 +/- 2.16   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.80 +/- 1.63   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.00 +/- 1.80   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  15.99 +/- 1.32   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  19.87 +/- 1.32   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.34 +/- 1.45   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.18 +/- 2.10   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.49 +/- 1.75   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.82 +/- 2.14   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.21 +/- 0.84   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.21 +/- 1.82   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.67 +/- 2.22   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.36 +/- 1.72   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.29 +/- 1.47   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  22.67 +/- 1.51   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.94 +/- 2.39   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 = 138.3:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.949% * 99.2815% (0.80  10.0 10.00   4.31 138.30) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.49 +/- 0.35   0.041% *  0.0900% (0.73   1.0  1.00   0.02  22.38) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.93 +/- 1.37   0.008% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  13.58 +/- 1.40   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.19 +/- 1.23   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.31 +/- 1.67   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  19.41 +/- 4.07   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.64 +/- 0.96   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.95 +/- 2.45   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.69, residual support = 187.3:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.960% * 99.4757% (0.80  10.0   5.69 187.34) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   6.71 +/- 0.59   0.037% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.97 +/- 1.74   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.66 +/- 1.00   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  13.75 +/- 1.84   0.001% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.06 +/- 2.28   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.49 +/- 1.49   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.14 +/- 1.45   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.48 +/- 1.24   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.58 +/- 2.66   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 = 5.11, residual support = 214.5:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.713% * 99.3078% (1.00  10.0 10.00   5.11 214.51) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89   9.99 +/- 2.36   0.286% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.95 +/- 2.50   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  19.82 +/- 1.10   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  16.60 +/- 1.86   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  17.13 +/- 1.51   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  18.81 +/- 1.74   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  19.56 +/- 2.09   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.02  99.931% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.24 +/- 0.99   0.041% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.91 +/- 1.85   0.023% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.90 +/- 1.84   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.23 +/- 0.67   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  16.35 +/- 1.60   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.02 +/- 2.66   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.68 +/- 1.22   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.75 +/- 1.70   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.68 +/- 1.45   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.15) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.21 +/- 0.79   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.65 +/- 1.95   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.44 +/- 1.37   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.21 +/- 2.14   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.94 +/- 1.26   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  21.90 +/- 2.29   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.85 +/- 1.66   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.35 +/- 1.64   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  37.86 +/- 2.59   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.1:
    * O T QG2   VAL   24 - QG1   VAL   24   2.05 +/- 0.05  99.999% * 99.5951% (1.00  10.0 10.00   2.70  65.14) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  16.13 +/- 1.14   0.000% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  19.65 +/- 1.90   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  24.19 +/- 2.62   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 = 6.36, residual support = 157.1:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.983% * 99.4743% (1.00  10.0 10.00   6.36 157.06) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.04 +/- 0.75   0.015% *  0.0918% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  13.12 +/- 2.04   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.21 +/- 1.39   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.84 +/- 2.49   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.28 +/- 3.35   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  21.26 +/- 4.40   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.24 +/- 1.86   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.40 +/- 1.53   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.05 +/- 1.76   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.23 +/- 1.04   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.64 +/- 1.66   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 150.4:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.65 +/- 0.38  96.462% * 99.0807% (1.00  10.0   4.54 150.40) =  99.999%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.16 +/- 0.42   2.495% *  0.0307% (0.31   1.0   0.02   0.67) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.85 +/- 0.81   0.222% *  0.0338% (0.34   1.0   0.02   1.41) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   6.43 +/- 0.60   0.673% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33   9.86 +/- 0.69   0.047% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.72 +/- 0.58   0.053% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  13.36 +/- 3.63   0.018% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  13.67 +/- 0.72   0.007% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  13.66 +/- 1.58   0.009% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  18.37 +/- 1.94   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  18.50 +/- 2.06   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.84 +/- 1.66   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.88 +/- 1.82   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.05 +/- 2.06   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.63 +/- 1.22   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  17.79 +/- 1.16   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.09 +/- 2.18   0.001% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  21.86 +/- 1.09   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.21 +/- 1.90   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.24 +/- 2.13   0.001% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.99 +/- 1.80   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.08 +/- 1.97   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  21.63 +/- 1.21   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  26.94 +/- 0.96   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 150.4:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.26 +/- 0.08  99.997% * 98.2551% (1.00  10.0 10.00   5.67 150.40) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  17.91 +/- 0.80   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  18.56 +/- 1.25   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.53 +/- 0.76   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.19 +/- 0.92   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  22.09 +/- 3.73   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.17 +/- 2.25   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 4.82, residual support = 216.8:
    *     QE    LYS+  38 - HA    LYS+  38   4.42 +/- 0.62  60.824% * 93.9719% (1.00  1.00   4.83 218.26) =  99.190%  kept
          QE    LYS+  99 - HA    GLU- 100   6.31 +/- 0.66  10.354% *  4.2750% (0.05  1.00   4.06  39.65) =   0.768%  kept
          QE    LYS+  99 - HA    LYS+  38   7.77 +/- 1.39   4.673% *  0.3488% (0.90  1.00   0.02   0.02) =   0.028%
          QE    LYS+  38 - HA    GLU- 100   6.08 +/- 1.67  17.722% *  0.0235% (0.06  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 102 - HA    LYS+  38  10.52 +/- 2.50   0.687% *  0.3591% (0.92  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HA    GLU- 100   7.82 +/- 1.31   5.402% *  0.0217% (0.06  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    LYS+  38  16.52 +/- 0.57   0.026% *  0.8660% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  13.93 +/- 1.19   0.072% *  0.0770% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  16.61 +/- 1.49   0.029% *  0.0523% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.54 +/- 0.58   0.212% *  0.0047% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.93, support = 4.53, residual support = 159.5:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.37  63.073% * 54.8141% (1.00  10.0 10.00   4.28 163.64) =  68.858%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.65 +/- 0.54  36.833% * 42.4513% (0.77  10.0 10.00   5.09 150.40) =  31.142%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.11 +/- 0.54   0.067% *  0.0287% (0.52   1.0  1.00   0.02   1.41) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.53 +/- 1.58   0.019% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  18.19 +/- 2.20   0.000% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  16.69 +/- 1.89   0.000% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.02 +/- 1.93   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.13 +/- 2.12   0.004% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.98 +/- 3.48   0.002% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.67 +/- 1.72   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.44 +/- 1.51   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  17.41 +/- 4.44   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.72 +/- 1.91   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.14 +/- 1.75   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.34 +/- 2.16   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.95 +/- 1.56   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.70 +/- 1.71   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  24.96 +/- 2.21   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.87 +/- 1.78   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.66 +/- 1.60   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  22.20 +/- 1.27   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.81 +/- 1.95   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.90 +/- 1.85   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.88 +/- 2.25   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 92.2:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.31 +/- 0.07  99.993% * 99.1144% (1.00  10.0 10.00   4.40  92.20) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  20.81 +/- 1.90   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  15.42 +/- 0.73   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.68 +/- 1.89   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.67 +/- 2.24   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.87 +/- 1.38   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.78 +/- 1.20   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.18 +/- 1.89   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.81 +/- 1.79   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  26.73 +/- 1.99   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.76 +/- 2.78   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 92.2:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.14  92.20) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  16.00 +/- 1.58   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.71 +/- 1.05   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.02 +/- 1.38   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  27.57 +/- 1.45   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  28.75 +/- 2.67   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.73 +/- 1.28   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.4:
    * O T QG    GLN   17 - HB3   GLN   17   2.43 +/- 0.11  99.981% * 98.5118% (0.76  10.0 10.00   4.31  84.37) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.83 +/- 1.01   0.016% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.43 +/- 0.61   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  16.59 +/- 1.74   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  20.05 +/- 0.99   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.10 +/- 1.60   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  19.82 +/- 1.31   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    GLN   17 - HB3   GLN   17   2.70 +/- 0.29  96.153% * 99.5390% (1.00  10.0 10.00   4.00  84.37) =  99.998%  kept
          HA    GLU-  15 - HB3   GLN   17   5.19 +/- 0.56   3.784% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   GLN   17  10.63 +/- 0.89   0.037% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  12.58 +/- 1.32   0.014% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  13.84 +/- 0.39   0.006% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  16.52 +/- 1.43   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  18.04 +/- 1.61   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.87 +/- 0.82   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.935% * 97.4347% (1.00  10.0 10.00   4.00  84.37) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.43 +/- 0.47   0.046% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17  11.75 +/- 2.93   0.005% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   8.17 +/- 0.60   0.011% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.14 +/- 1.19   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.61 +/- 2.13   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.11 +/- 0.77   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.61 +/- 0.93   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  20.53 +/- 1.78   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  17.82 +/- 1.70   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  24.30 +/- 1.79   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  22.07 +/- 1.58   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.932, support = 3.07, residual support = 47.8:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.73 +/- 0.22  75.418% * 72.0932% (1.00  10.0 10.00   2.96  48.33) =  89.238%  kept
      O T HG3   MET   11 - HA    MET   11   3.48 +/- 0.57  24.499% * 26.7625% (0.37  10.0 10.00   4.00  43.23) =  10.761%  kept
        T HG3   MET   11 - HA    GLU-  14  10.41 +/- 1.06   0.044% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.51 +/- 1.30   0.037% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.16 +/- 1.44   0.001% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.55 +/- 0.96   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.04 +/- 1.49   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.85 +/- 2.56   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  30.71 +/- 1.80   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.80 +/- 1.68   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.14 +/- 2.01   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.18 +/- 1.73   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.1:
    * O T HB2   MET   92 - HA    MET   92   2.86 +/- 0.22  99.419% * 99.5277% (1.00  10.0 10.00   3.87  62.13) = 100.000%  kept
          HB    ILE   56 - HA    MET   92  10.08 +/- 2.65   0.245% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   7.98 +/- 0.77   0.256% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.07 +/- 2.52   0.016% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  11.74 +/- 2.50   0.040% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.96 +/- 0.98   0.022% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  19.73 +/- 1.29   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.22 +/- 1.02   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  22.88 +/- 1.11   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.72 +/- 2.03   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  37.10 +/- 2.16   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 = 0.999, support = 4.23, residual support = 61.8:
    * O T HB3   MET   92 - HA    MET   92   2.83 +/- 0.17  97.121% * 83.8257% (1.00  10.0 10.00   4.23  62.13) =  99.484%  kept
          HG3   PRO   93 - HA    MET   92   5.39 +/- 0.68   2.712% * 15.5563% (0.76   1.0  1.00   4.86   1.77) =   0.516%  kept
          HD2   LYS+ 111 - HA    MET   92  13.38 +/- 2.86   0.025% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   9.48 +/- 2.02   0.122% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.35 +/- 1.51   0.013% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  15.95 +/- 1.43   0.004% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  22.46 +/- 2.59   0.001% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.23 +/- 0.97   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.15 +/- 1.65   0.001% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.31 +/- 1.06   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 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 = 62.1:
    * O T HG2   MET   92 - HA    MET   92   2.46 +/- 0.38  88.465% * 99.5593% (1.00  10.0 10.00   2.49  62.13) =  99.992%  kept
          HG2   PRO   52 - HA    MET   92   5.54 +/- 2.29  11.498% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          QG    GLU- 114 - HA    MET   92  11.01 +/- 1.61   0.030% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.03 +/- 2.48   0.006% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  24.24 +/- 2.11   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.04 +/- 1.23   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  33.09 +/- 2.03   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.1:
    * O T HG3   MET   92 - HA    MET   92   3.31 +/- 0.45  98.646% * 99.3565% (1.00  10.0 10.00   3.97  62.13) =  99.999%  kept
          QG    GLN   90 - HA    MET   92   7.58 +/- 0.59   1.075% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.06 +/- 0.98   0.116% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  11.81 +/- 1.99   0.126% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.20 +/- 1.33   0.017% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.75 +/- 0.91   0.008% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.04 +/- 1.38   0.009% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  23.22 +/- 1.75   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  24.57 +/- 1.63   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.84 +/- 1.12   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  22.94 +/- 1.23   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.89, residual support = 6.04:
          HB    VAL  108 - QB    LYS+ 106   4.22 +/- 0.10  97.443% * 85.0609% (0.92  1.00   1.89   6.04) =  99.978%  kept
          HB2   PRO   93 - QB    LYS+ 106   9.26 +/- 1.08   1.129% *  0.5509% (0.57  1.00   0.02   0.02) =   0.008%
        T HB2   GLN   30 - QB    LYS+ 106  15.08 +/- 1.07   0.053% *  9.7312% (1.00 10.00   0.02   0.02) =   0.006%
          HB    ILE  119 - QB    LYS+ 106  11.71 +/- 2.06   0.405% *  0.9731% (1.00  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QB    LYS+ 106  10.34 +/- 1.51   0.808% *  0.2167% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QB    LYS+ 106  15.14 +/- 0.58   0.048% *  0.9645% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  16.66 +/- 1.31   0.030% *  0.8441% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.66 +/- 1.26   0.020% *  0.8441% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.85 +/- 2.16   0.028% *  0.4737% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  17.56 +/- 1.18   0.021% *  0.1704% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.24 +/- 0.84   0.016% *  0.1704% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 9 structures by 0.89 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.2:
      O   HN    ASP-  76 - HA    VAL   75   2.23 +/- 0.03  99.669% * 99.8873% (0.76  10.0   4.64  27.21) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   6.09 +/- 0.77   0.331% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.52 +/- 0.87   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 84.4:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.00  99.519% * 99.8946% (0.90  10.0   5.27  84.42) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.17 +/- 0.30   0.481% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.8:
          HA    PHE   45 - HB    VAL   75   3.38 +/- 0.96  99.564% * 89.9031% (0.45   0.75  17.84) =  99.975%  kept
          HA    VAL   41 - HB    VAL   75  11.11 +/- 0.78   0.430% *  5.1606% (0.97   0.02   0.02) =   0.025%
          HA    HIS  122 - HB    VAL   75  20.33 +/- 3.04   0.007% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 4 structures by 0.33 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.8:
          QD    PHE   45 - HB    VAL   75   3.54 +/- 0.51  99.985% * 98.4855% (0.87   2.00  17.84) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  16.91 +/- 3.16   0.013% *  0.7800% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.38 +/- 2.64   0.002% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.15 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.524, support = 0.02, residual support = 1.38:
        T HZ    PHE   72 - HB    VAL   75  13.87 +/- 0.89   2.829% * 97.5882% (0.80 10.00   0.02   0.02) =  54.084%  kept
          HZ2   TRP   27 - HB    VAL   75   7.43 +/- 0.77  97.171% *  2.4118% (0.20  1.00   0.02   2.99) =  45.916%  kept
    Distance limit 4.02 A violated in 20 structures by 3.38 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 84.4:
      O   HN    VAL   75 - HB    VAL   75   2.59 +/- 0.37  99.849% * 99.9348% (0.99  10.0   4.51  84.42) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.14 +/- 0.27   0.151% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.8:
        T QE    PHE   45 - QG1   VAL   75   2.62 +/- 0.47  99.934% * 99.5846% (0.34 10.00   2.31  17.84) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.87 +/- 0.49   0.057% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.44 +/- 0.78   0.009% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.8:
          QD    PHE   45 - QG1   VAL   75   2.41 +/- 0.54  99.996% * 99.5615% (1.00   2.96  17.84) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.63 +/- 2.37   0.003% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.89 +/- 2.02   0.001% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.15, residual support = 81.3:
          HN    VAL   75 - QG1   VAL   75   3.53 +/- 0.15  91.510% * 70.7550% (0.90   5.27  84.42) =  96.307%  kept
          HN    ASP-  78 - QG1   VAL   75   5.28 +/- 0.25   8.490% * 29.2450% (0.95   2.06   0.02) =   3.693%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.2:
          HN    ASP-  76 - QG1   VAL   75   2.67 +/- 0.26  99.671% * 99.1034% (0.41   4.97  27.21) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   7.31 +/- 0.67   0.316% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.32 +/- 0.83   0.013% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.5:
          HB2   CYS   21 - QG2   VAL   75   4.15 +/- 1.32  95.177% * 98.7151% (0.76   0.75   2.50) =  99.968%  kept
          QE    LYS+  81 - QG2   VAL   75   8.96 +/- 1.02   3.903% *  0.6032% (0.18   0.02   0.02) =   0.025%
          QE    LYS+ 111 - QG2   VAL   75  15.53 +/- 2.21   0.921% *  0.6817% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.58 A violated in 7 structures by 0.78 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.683, support = 0.811, residual support = 14.0:
          HZ    PHE   45 - QG2   VAL   75   3.83 +/- 0.74  69.202% * 56.4308% (0.76   0.75  17.84) =  74.426%  kept
          HZ3   TRP   27 - QG2   VAL   75   4.71 +/- 1.11  30.798% * 43.5692% (0.45   0.99   2.99) =  25.574%  kept
    Distance limit 3.29 A violated in 1 structures by 0.21 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 17.8:
          QE    PHE   45 - QG2   VAL   75   3.29 +/- 0.40  99.465% * 98.7242% (0.97   2.00  17.84) =  99.995%  kept
          QD    PHE   72 - QG2   VAL   75   8.33 +/- 0.57   0.477% *  1.0207% (1.00   0.02   0.02) =   0.005%
          HZ    PHE   72 - QG2   VAL   75  11.83 +/- 0.84   0.058% *  0.2551% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.781, support = 0.994, residual support = 2.89:
          HE3   TRP   27 - QG2   VAL   75   4.01 +/- 1.19  76.478% * 76.9553% (0.80   1.00   2.99) =  96.861%  kept
          HD2   HIS   22 - QG2   VAL   75   6.38 +/- 1.38  10.645% * 15.8179% (0.20   0.83   0.02) =   2.771%  kept
          HN    THR   23 - QG2   VAL   75   5.87 +/- 1.07   8.245% *  1.8508% (0.97   0.02   0.02) =   0.251%
          QE    PHE   95 - QG2   VAL   75   8.30 +/- 1.09   3.179% *  1.8798% (0.98   0.02   0.02) =   0.098%
          HD1   TRP   49 - QG2   VAL   75  12.47 +/- 1.91   1.207% *  0.5919% (0.31   0.02   0.02) =   0.012%
          QD    PHE   55 - QG2   VAL   75  14.68 +/- 1.43   0.149% *  1.6636% (0.87   0.02   0.02) =   0.004%
          HN    LEU   67 - QG2   VAL   75  14.22 +/- 0.64   0.096% *  1.2406% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 4 structures by 0.54 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.11, residual support = 84.4:
          HN    VAL   75 - QG2   VAL   75   3.06 +/- 0.53  99.239% * 99.5893% (0.90   5.11  84.42) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.25 +/- 0.56   0.761% *  0.4107% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.11 +/- 0.54  98.168% * 48.3894% (0.61   0.02   0.02) =  98.049%  kept
          HN    VAL  108 - QG2   VAL   75  12.56 +/- 1.08   1.832% * 51.6106% (0.65   0.02   0.02) =   1.951%  kept
    Distance limit 3.91 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.74, residual support = 36.2:
      O   HN    ASP-  76 - HB3   ASP-  76   2.87 +/- 0.44  99.998% * 99.4520% (0.15  10.0   3.74  36.22) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  18.94 +/- 1.10   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.72, residual support = 36.2:
      O   HN    ASP-  76 - HB2   ASP-  76   2.61 +/- 0.46  99.089% * 99.6604% (0.41  10.0   3.72  36.22) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   6.23 +/- 1.68   0.875% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  18.99 +/- 1.12   0.001% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.46 +/- 2.79   0.006% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.70 +/- 1.65   0.023% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.48 +/- 1.38   0.004% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.72 +/- 0.84   0.001% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.19 +/- 1.51   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.53 +/- 0.81   0.000% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.581, residual support = 0.58:
          HN    LEU   80 - HA    THR   77   4.92 +/- 1.46  98.147% * 87.6904% (0.38   0.58   0.58) =  99.895%  kept
          HN    CYS   53 - HA    THR   77  12.72 +/- 1.63   1.122% *  4.8751% (0.61   0.02   0.02) =   0.063%
          HN    THR   26 - HA    THR   77  12.79 +/- 0.82   0.641% *  5.1996% (0.65   0.02   0.02) =   0.039%
          HN    ALA   34 - HA    THR   77  19.30 +/- 0.90   0.089% *  2.2348% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 9 structures by 1.41 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 = 28.1:
      O   HN    ASP-  78 - HA    THR   77   3.51 +/- 0.06  98.667% * 99.8470% (0.65  10.0   4.61  28.13) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.27 +/- 0.33   1.333% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, residual support = 37.7:
      O   HN    THR   77 - HA    THR   77   2.78 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.01  37.74) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.25, residual support = 8.44:
        T QD    PHE   45 - QG2   THR   77   2.95 +/- 0.84 100.000% *100.0000% (0.80 10.00   2.25   8.44) = 100.000%  kept
    Distance limit 3.13 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   3.02 +/- 0.40  94.953% * 98.1630% (0.87   3.60  12.00) =  99.976%  kept
          HN    MET   92 - QG2   THR   77   6.09 +/- 1.66   4.892% *  0.4322% (0.69   0.02   0.02) =   0.023%
          HN    LYS+  74 - QG2   THR   77   9.13 +/- 0.46   0.143% *  0.6168% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.41 +/- 1.62   0.012% *  0.3311% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  29.11 +/- 1.42   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.7:
          HN    THR   77 - QG2   THR   77   2.02 +/- 0.21 100.000% *100.0000% (0.87   4.01  37.74) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.34:
          HA    ALA   20 - HB2   LYS+  74   3.39 +/- 0.51  99.807% * 98.6222% (0.61   1.50   8.34) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74  10.25 +/- 0.70   0.193% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.34:
          HA    ALA   20 - HB3   LYS+  74   2.48 +/- 0.46  99.976% * 99.2963% (0.76   2.96   8.34) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.77 +/- 0.74   0.024% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.3:
      O   HA    LYS+  74 - HB3   LYS+  74   2.98 +/- 0.08  99.969% * 99.8966% (0.80  10.0   6.20 187.34) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  12.75 +/- 0.68   0.017% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  13.69 +/- 1.59   0.014% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.63 +/- 0.19  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.44) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  18.57 +/- 1.35   0.001% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.421, support = 1.76, residual support = 1.72:
          HB3   MET   92 - HB3   PRO   93   4.73 +/- 0.76  45.095% * 75.1153% (0.41  1.00   1.82   1.77) =  97.013%  kept
          QG1   ILE   56 - HB3   PRO   93   5.24 +/- 1.94  47.228% *  1.8018% (0.90  1.00   0.02   0.02) =   2.437%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.77 +/- 2.54   2.244% *  6.2011% (0.31 10.00   0.02   0.02) =   0.398%
          HB    ILE   89 - HB3   PRO   93  10.45 +/- 1.87   5.170% *  0.7540% (0.38  1.00   0.02   0.02) =   0.112%
        T HB2   LEU   73 - HB3   PRO   93  14.56 +/- 1.96   0.099% * 11.3747% (0.57 10.00   0.02   0.02) =   0.032%
          QD    LYS+ 106 - HB3   PRO   93  11.57 +/- 0.87   0.153% *  1.5354% (0.76  1.00   0.02   0.02) =   0.007%
          QD    LYS+  99 - HB3   PRO   93  19.45 +/- 0.90   0.006% *  1.6088% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PRO   93  19.99 +/- 0.89   0.005% *  1.6088% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.66 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.897% * 99.4465% (0.80  10.0   6.01 132.44) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   8.63 +/- 2.80   0.081% *  0.0853% (0.69   1.0   0.02   0.42) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.84 +/- 1.27   0.010% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.60 +/- 1.58   0.007% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.36 +/- 1.26   0.003% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.28 +/- 1.80   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.01 +/- 1.06   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  24.71 +/- 1.68   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  25.32 +/- 0.86   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.29 +/- 1.84   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.41 +/- 0.19 100.000% *100.0000% (0.92  10.0   5.13 132.44) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   7.47 +/- 0.71 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 3.47 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.943, support = 2.13, residual support = 14.8:
          QD1   ILE   19 - HG2   GLN   30   5.16 +/- 1.30  62.515% * 96.3080% (0.95   2.13  14.90) =  99.640%  kept
          QG1   VAL   43 - HG2   GLN   30   6.89 +/- 1.33  19.676% *  0.6552% (0.69   0.02   0.02) =   0.213%
          QG1   VAL   41 - HG2   GLN   30   6.59 +/- 1.19  16.376% *  0.4643% (0.49   0.02   0.02) =   0.126%
          QG2   VAL   18 - HG2   GLN   30  10.14 +/- 0.84   0.951% *  0.8554% (0.90   0.02   0.02) =   0.013%
          QG2   THR   46 - HG2   GLN   30  11.96 +/- 0.78   0.399% *  0.9205% (0.97   0.02   0.02) =   0.006%
          QD2   LEU  104 - HG2   GLN   30  15.61 +/- 1.56   0.084% *  0.7967% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 13 structures by 1.47 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.84:
        T QG2   THR   26 - HG2   GLN   30   3.00 +/- 0.62  99.700% * 87.3618% (0.61 10.00   0.75   4.84) =  99.998%  kept
        T HD3   LYS+  74 - HG2   GLN   30  11.98 +/- 0.51   0.044% *  2.1746% (0.57 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   GLN   30   9.30 +/- 0.44   0.236% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.94 +/- 0.96   0.003% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  23.61 +/- 3.66   0.002% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.29 +/- 3.40   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.04 +/- 1.89   0.007% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.51 +/- 1.09   0.006% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.56 +/- 2.32   0.001% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.01, residual support = 231.5:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.73 +/- 0.24  99.969% * 99.8036% (0.95  10.0 10.00   7.01 231.52) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  13.72 +/- 2.39   0.019% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  13.79 +/- 2.29   0.012% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.28, residual support = 231.5:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.74 +/- 0.20  99.994% * 99.8561% (0.73  10.0 10.00   6.28 231.52) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.39 +/- 1.17   0.003% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.37 +/- 2.15   0.004% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  26.89 +/- 3.28   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.7, residual support = 231.5:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.90 +/- 0.66  99.976% * 99.7523% (0.97  10.0   5.70 231.52) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  14.70 +/- 2.57   0.018% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.61 +/- 2.08   0.004% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.52 +/- 2.43   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  39.34 +/- 3.35   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 231.5:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.67 +/- 0.60  99.636% * 99.6310% (0.84  10.0   5.71 231.52) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.42 +/- 0.94   0.357% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  18.16 +/- 2.19   0.003% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.60 +/- 0.81   0.002% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.66 +/- 2.33   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  22.29 +/- 2.47   0.001% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.93 +/- 1.84   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  39.74 +/- 3.03   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.0, residual support = 4.99:
          HA    PHE   72 - HB    VAL   42   3.13 +/- 0.82  98.221% * 98.9187% (0.85   2.00   4.99) =  99.996%  kept
          HA    MET   96 - HB    VAL   42   7.87 +/- 0.62   1.752% *  0.2247% (0.19   0.02   0.02) =   0.004%
          HA    PHE   72 - HB2   LYS+ 112  20.15 +/- 2.73   0.006% *  0.6981% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.50 +/- 1.94   0.021% *  0.1586% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.33, residual support = 87.2:
      O   HN    VAL   42 - HB    VAL   42   2.42 +/- 0.22  95.742% * 84.9994% (0.80  10.0   5.34  87.78) =  99.275%  kept
          HN    LEU   73 - HB    VAL   42   4.35 +/- 0.73   4.033% * 14.7354% (0.80   1.0   3.47   1.12) =   0.725%  kept
          HN    ILE   19 - HB    VAL   42   7.30 +/- 0.87   0.195% *  0.0256% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  10.72 +/- 1.30   0.025% *  0.0596% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.58 +/- 1.57   0.005% *  0.0420% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.17 +/- 2.68   0.001% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.82 +/- 2.50   0.000% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.81 +/- 2.38   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.468, support = 0.825, residual support = 1.67:
          QD    PHE   60 - HB    VAL   42   7.19 +/- 1.44  27.291% * 67.1397% (0.66   0.75   1.15) =  63.799%  kept
          QD    PHE   55 - HB2   LYS+ 112   6.16 +/- 2.52  61.872% * 16.1137% (0.12   0.98   2.69) =  34.714%  kept
          HE3   TRP   27 - HB    VAL   42   9.74 +/- 0.63   3.932% *  9.5355% (0.22   0.33   0.02) =   1.305%  kept
          HN    LYS+  66 - HB    VAL   42   9.71 +/- 0.99   4.727% *  0.6514% (0.24   0.02   0.02) =   0.107%
          QD    PHE   60 - HB2   LYS+ 112  12.12 +/- 1.69   1.274% *  1.2635% (0.47   0.02   0.02) =   0.056%
          HN    LYS+  66 - HB2   LYS+ 112  16.89 +/- 2.33   0.679% *  0.4597% (0.17   0.02   0.02) =   0.011%
          HN    LYS+  81 - HB    VAL   42  19.35 +/- 0.70   0.058% *  2.3220% (0.86   0.02   0.02) =   0.005%
          QD    PHE   55 - HB    VAL   42  17.08 +/- 0.94   0.135% *  0.4636% (0.17   0.02   0.02) =   0.002%
          HN    LYS+  81 - HB2   LYS+ 112  26.46 +/- 2.25   0.011% *  1.6387% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LYS+ 112  24.78 +/- 2.14   0.021% *  0.4123% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 11 structures by 1.42 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.468, support = 0.758, residual support = 4.99:
        T QD    PHE   72 - HB    VAL   42   3.14 +/- 1.04  85.467% * 80.0352% (0.46 10.00   0.75   4.99) =  96.511%  kept
          HZ    PHE   72 - HB    VAL   42   4.82 +/- 1.29  13.759% * 17.9647% (0.78  1.00   0.99   4.99) =   3.487%  kept
          QE    PHE   45 - HB    VAL   42   8.58 +/- 0.32   0.728% *  0.1385% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  16.51 +/- 2.09   0.021% *  1.5070% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  17.84 +/- 2.65   0.013% *  0.2569% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.09 +/- 1.78   0.011% *  0.0977% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 2 structures by 0.17 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.49 +/- 0.18  99.959% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101   9.77 +/- 1.20   0.041% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.91 +/- 0.06  99.919% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.02 +/- 1.47   0.081% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.71, residual support = 5.18:
      O   HN    SER   13 - HA    ALA   12   2.51 +/- 0.17  99.998% * 99.9813% (0.84  10.0   1.71   5.18) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  16.30 +/- 0.96   0.002% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.3:
      O   HN    ALA   12 - HA    ALA   12   2.78 +/- 0.14  99.999% * 99.8617% (0.85  10.0   2.38  12.31) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.31 +/- 2.51   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.85 +/- 1.18   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.14 +/- 1.56   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.3, residual support = 12.3:
      O   HN    ALA   12 - QB    ALA   12   2.81 +/- 0.13  99.993% * 99.7294% (0.46  10.0   2.30  12.31) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.22 +/- 2.64   0.005% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  21.07 +/- 3.89   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.29 +/- 1.76   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 12.2:
      O   HN    ALA   12 - HA    MET   11   2.52 +/- 0.14  99.894% * 99.5700% (0.65  10.0   3.51  12.22) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.18 +/- 0.45   0.104% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  21.77 +/- 3.39   0.000% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  17.78 +/- 1.81   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.56 +/- 0.86   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  30.26 +/- 1.89   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.17 +/- 0.99   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.91 +/- 1.82   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.57, residual support = 12.2:
          HN    ALA   12 - HG3   MET   11   3.85 +/- 0.32  98.520% * 98.7254% (0.97   3.57  12.22) =  99.997%  kept
          HN    ALA   12 - HB3   GLU-  14   8.33 +/- 1.27   1.450% *  0.1964% (0.34   0.02   0.02) =   0.003%
          HN    ASN   35 - HB3   GLU-  14  16.74 +/- 2.26   0.022% *  0.1152% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  22.48 +/- 3.04   0.004% *  0.3245% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.56 +/- 1.47   0.003% *  0.0837% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  30.78 +/- 1.86   0.000% *  0.2356% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.85 +/- 1.65   0.001% *  0.0837% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  36.21 +/- 1.70   0.000% *  0.2356% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.67:
      O   HN    GLU-  14 - HA    SER   13   2.47 +/- 0.22  99.970% * 99.1146% (0.92  10.0   2.10   6.67) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  14.38 +/- 2.93   0.007% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.76 +/- 1.06   0.005% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.26 +/- 0.39   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.32 +/- 1.29   0.005% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  18.35 +/- 2.19   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.87 +/- 2.18   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  20.34 +/- 6.50   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  17.82 +/- 0.75   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.19 +/- 0.43   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.18 +/- 4.46   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.95 +/- 0.43   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  20.37 +/- 2.38   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.07 +/- 1.93   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  18.99 +/- 0.78   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.09 +/- 1.22   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.64 +/- 1.46   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.68 +/- 2.41   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.562, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    THR   46  12.68 +/- 0.85  18.539% * 13.2032% (0.60   0.02   0.02) =  23.648%  kept
          HN    LEU   73 - HA    THR   46  11.69 +/- 0.67  29.450% *  7.5418% (0.34   0.02   0.02) =  21.458%  kept
          HN    ILE   19 - HA    SER   13  14.06 +/- 0.85   9.934% * 21.8157% (0.99   0.02   0.02) =  20.937%  kept
          HN    VAL   42 - HA    SER   37  12.91 +/- 0.42  16.195% *  6.6588% (0.30   0.02   0.02) =  10.418%  kept
          HN    VAL   42 - HA    THR   46  14.51 +/- 0.31   7.865% *  7.5418% (0.34   0.02   0.02) =   5.731%  kept
          HN    ILE   19 - HA    SER   37  15.90 +/- 1.03   4.906% * 11.6574% (0.53   0.02   0.02) =   5.525%  kept
          HN    VAL   42 - HA    SER   13  16.98 +/- 1.46   3.454% * 12.4613% (0.57   0.02   0.02) =   4.158%  kept
          HN    LEU   73 - HA    SER   13  16.96 +/- 1.34   3.411% * 12.4613% (0.57   0.02   0.02) =   4.107%  kept
          HN    LEU   73 - HA    SER   37  15.25 +/- 0.90   6.247% *  6.6588% (0.30   0.02   0.02) =   4.019%  kept
    Distance limit 3.31 A violated in 20 structures by 6.17 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.43, residual support = 26.3:
      O   HN    SER   37 - HB3   SER   37   2.48 +/- 0.09  99.986% * 99.5355% (0.83  10.0   3.43  26.26) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.11 +/- 3.05   0.011% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.21 +/- 0.69   0.001% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.84 +/- 1.08   0.001% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.68 +/- 3.28   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.00 +/- 0.79   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.70 +/- 1.83   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  28.00 +/- 2.44   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.688, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.43 +/- 1.82  48.614% * 22.8936% (0.69   0.02   0.02) =  58.574%  kept
          HA    TRP   87 - HB3   GLU-  14  27.76 +/- 3.25  12.955% * 33.2545% (1.00   0.02   0.02) =  22.673%  kept
          HA    LEU  104 - HB3   GLU-  14  25.61 +/- 1.82  17.646% * 12.5086% (0.38   0.02   0.02) =  11.617%  kept
          HA    PHE   59 - HG3   MET   11  29.53 +/- 1.70   7.251% *  8.1279% (0.24   0.02   0.02) =   3.102%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.75 +/- 2.52   5.677% *  5.1424% (0.15   0.02   0.02) =   1.536%  kept
          HA    TRP   87 - HG3   MET   11  36.32 +/- 3.43   2.219% * 11.8063% (0.35   0.02   0.02) =   1.379%  kept
          HA    LEU  104 - HG3   MET   11  32.67 +/- 2.38   4.193% *  4.4409% (0.13   0.02   0.02) =   0.980%  kept
          HA    ASP- 113 - HG3   MET   11  38.67 +/- 2.59   1.445% *  1.8257% (0.05   0.02   0.02) =   0.139%
    Distance limit 3.51 A violated in 20 structures by 15.37 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.87, residual support = 48.3:
      O   HN    GLU-  14 - HB3   GLU-  14   3.26 +/- 0.21  99.763% * 99.5831% (0.92  10.0   3.87  48.33) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.37 +/- 0.81   0.219% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  15.65 +/- 2.19   0.012% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  20.82 +/- 3.88   0.003% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.72 +/- 1.71   0.001% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  23.38 +/- 2.34   0.001% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.13 +/- 4.04   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.60 +/- 2.29   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.60 +/- 2.78   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  36.25 +/- 2.82   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.87, residual support = 48.3:
      O   HN    GLU-  14 - HB2   GLU-  14   3.28 +/- 0.59  99.740% * 99.3938% (0.49  10.0   3.87  48.33) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.56 +/- 0.69   0.233% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  16.23 +/- 2.22   0.014% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.56 +/- 4.17   0.005% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.27 +/- 1.71   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  21.10 +/- 2.33   0.002% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  23.05 +/- 2.92   0.001% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  28.09 +/- 3.64   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.91 +/- 2.34   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.41 +/- 1.75   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  27.91 +/- 2.12   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.04 +/- 1.94   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.06:
      O   HN    GLY   16 - HA    GLU-  15   2.67 +/- 0.15  99.983% * 99.5949% (0.97  10.0   2.07   6.06) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.28 +/- 1.22   0.013% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.78 +/- 2.51   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  16.40 +/- 1.41   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.82 +/- 1.65   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.93 +/- 1.16   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.13 +/- 0.80   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  23.19 +/- 1.46   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  27.11 +/- 2.38   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 93.3:
      O   HN    ASN   28 - HA    ASN   28   2.80 +/- 0.03  99.999% * 99.8927% (0.84  10.0   5.70  93.29) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.93 +/- 0.81   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.56, residual support = 17.6:
        T HB2   LEU   31 - HA    ASN   28   3.36 +/- 0.25  98.275% * 93.5437% (0.38 10.00   2.56  17.65) =  99.996%  kept
        T QB    ALA   84 - HA    ASN   28  11.30 +/- 0.47   0.076% *  2.4869% (1.00 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    ASN   28   8.31 +/- 1.40   0.612% *  0.0935% (0.38  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    ASN   28   8.72 +/- 1.46   0.586% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28   9.27 +/- 0.90   0.273% *  0.1311% (0.53  1.00   0.02   2.37) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.02 +/- 1.20   0.107% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.80 +/- 0.69   0.015% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  13.33 +/- 0.68   0.029% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  25.09 +/- 3.77   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  15.71 +/- 1.70   0.012% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.03 +/- 1.53   0.007% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.36 +/- 1.02   0.002% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  20.27 +/- 1.11   0.002% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.84 +/- 1.79   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.68 +/- 2.57   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.74 +/- 1.96   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.65, residual support = 17.6:
          HG    LEU   31 - HA    ASN   28   3.37 +/- 0.98  97.478% * 97.6641% (0.61   3.65  17.65) =  99.982%  kept
          QD2   LEU   73 - HA    ASN   28   7.84 +/- 1.64   2.508% *  0.6742% (0.76   0.02   0.02) =   0.018%
          QD1   ILE   56 - HA    ASN   28  19.32 +/- 1.71   0.008% *  0.8514% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  24.59 +/- 4.13   0.002% *  0.6742% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  23.90 +/- 2.92   0.003% *  0.1361% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA2   GLY   16   2.90 +/- 0.02  99.999% * 99.8461% (0.97  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.66 +/- 1.75   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.53 +/- 0.65   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.47 +/- 0.02  97.535% * 99.5709% (0.65  10.0   3.26  16.50) =  99.998%  kept
          HD21  ASN   69 - HA2   GLY   16   9.03 +/- 2.09   2.402% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HA2   GLY   16  12.33 +/- 1.01   0.058% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  24.01 +/- 1.69   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.62 +/- 0.79   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  25.57 +/- 1.57   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.11 +/- 1.91   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.21 +/- 0.02  97.667% * 99.5709% (0.65  10.0   3.26  16.50) =  99.998%  kept
          HD21  ASN   69 - HA1   GLY   16   7.98 +/- 1.77   2.278% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HA1   GLY   16  11.71 +/- 0.97   0.050% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  22.64 +/- 1.71   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.88 +/- 1.00   0.002% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  24.34 +/- 1.56   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  24.97 +/- 1.91   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA1   GLY   16   2.29 +/- 0.02  99.999% * 99.6694% (0.57  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.43 +/- 1.87   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  20.73 +/- 2.00   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.63 +/- 0.83   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  24.30 +/- 1.99   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.4:
      O T HB3   GLN   17 - QG    GLN   17   2.43 +/- 0.11  97.417% * 99.0943% (0.58  10.0 10.00   4.31  84.37) =  99.997%  kept
          QB    LYS+  65 - QG    GLN   17   6.47 +/- 1.82   1.916% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG    GLN   17   9.34 +/- 1.75   0.062% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.43 +/- 0.22   0.291% *  0.0260% (0.15   1.0  1.00   0.02  31.46) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.83 +/- 1.01   0.015% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.43 +/- 1.05   0.037% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.67 +/- 1.23   0.129% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.68 +/- 1.07   0.030% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.86 +/- 0.61   0.046% *  0.0066% (0.04   1.0  1.00   0.02   2.72) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.02 +/- 1.74   0.012% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.78 +/- 1.54   0.035% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  13.34 +/- 1.21   0.004% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  18.90 +/- 2.00   0.001% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.74 +/- 1.71   0.001% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.48 +/- 1.24   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.74 +/- 0.99   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.04 +/- 0.81   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  19.87 +/- 1.84   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.494, support = 5.5, residual support = 84.4:
          HN    GLN   17 - QG    GLN   17   2.70 +/- 0.67  95.995% * 98.0763% (0.49   5.50  84.37) =  99.997%  kept
          HD21  ASN   69 - HB    VAL   70   5.71 +/- 0.84   3.524% *  0.0506% (0.07   0.02  27.57) =   0.002%
          HN    ALA   61 - QG    GLN   17   9.74 +/- 1.31   0.187% *  0.2682% (0.37   0.02   0.02) =   0.001%
          HN    GLN   17 - HB    VAL   70   8.19 +/- 0.99   0.233% *  0.0730% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.12 +/- 1.50   0.029% *  0.2470% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  13.01 +/- 1.29   0.018% *  0.0549% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  20.25 +/- 1.86   0.002% *  0.4412% (0.61   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  15.12 +/- 1.50   0.004% *  0.0850% (0.12   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  21.03 +/- 1.82   0.001% *  0.2682% (0.37   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  18.53 +/- 1.74   0.002% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.45 +/- 1.71   0.001% *  0.2265% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  21.11 +/- 0.75   0.001% *  0.0549% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  18.00 +/- 0.74   0.002% *  0.0174% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  22.57 +/- 1.26   0.001% *  0.0464% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.73 +/- 0.24  99.195% * 99.7451% (0.76   5.81  50.10) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.47 +/- 0.92   0.462% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    VAL   18 - HB    VAL   70  10.15 +/- 0.95   0.294% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.36 +/- 1.74   0.019% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  15.90 +/- 1.35   0.020% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  18.10 +/- 0.79   0.008% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.4:
      O   HN    GLN   17 - HB3   GLN   17   3.22 +/- 0.35  99.803% * 99.5709% (0.65  10.0   5.17  84.37) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.38 +/- 1.05   0.145% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  12.94 +/- 1.42   0.043% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.61 +/- 0.75   0.006% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  22.31 +/- 1.81   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  23.10 +/- 1.75   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  23.42 +/- 1.91   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.36 +/- 0.58  99.794% * 99.8372% (1.00   5.47  50.10) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  11.19 +/- 1.18   0.201% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.13 +/- 0.97   0.006% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.4:
      O T HB3   GLN   17 - HA    GLN   17   2.70 +/- 0.29  96.622% * 99.4149% (0.76  10.0 10.00   4.00  84.37) =  99.996%  kept
          QB    LYS+  65 - HA    GLN   17   5.64 +/- 1.22   3.177% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HA    GLN   17   8.46 +/- 0.84   0.135% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17   9.87 +/- 0.87   0.054% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  13.84 +/- 0.76   0.007% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.82 +/- 2.01   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  19.77 +/- 1.76   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  17.96 +/- 1.25   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  19.58 +/- 1.07   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.4:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.468% * 94.0226% (0.18  10.0 10.00   4.00  84.37) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.43 +/- 0.47   0.046% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QB    GLU-  15   6.96 +/- 1.92   0.312% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68  11.75 +/- 2.93   0.005% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   6.76 +/- 1.01   0.081% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   8.50 +/- 1.73   0.022% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.30 +/- 1.47   0.048% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.19 +/- 0.90   0.006% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  10.98 +/- 1.34   0.002% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  10.80 +/- 1.03   0.002% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.22 +/- 0.73   0.003% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  10.64 +/- 0.89   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  16.95 +/- 2.36   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  17.78 +/- 2.75   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  11.70 +/- 1.09   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.04 +/- 2.48   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.39 +/- 0.97   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  14.73 +/- 0.74   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.11 +/- 1.44   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.71 +/- 2.16   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.08 +/- 1.71   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  23.65 +/- 1.88   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  19.64 +/- 2.05   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.12 +/- 1.94   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.12 +/- 1.19   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  19.65 +/- 1.19   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  20.88 +/- 1.19   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.3:
      O   HA    PRO   68 - HB3   PRO   68   2.39 +/- 0.17  98.850% * 99.9155% (0.19  10.0   2.96  35.27) =  99.999%  kept
          HA    PRO   68 - QB    GLU-  15   6.60 +/- 1.88   1.119% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17  10.59 +/- 2.34   0.031% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   2.62 +/- 0.53  98.739% * 97.9602% (0.24   5.47  50.10) =  99.998%  kept
          HN    VAL   18 - QB    GLU-  15   8.04 +/- 0.20   0.218% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - QB    GLU-  15   6.66 +/- 0.93   0.958% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    VAL   18 - HB3   PRO   68  12.33 +/- 2.20   0.037% *  0.8982% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.92 +/- 1.04   0.032% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  14.86 +/- 3.26   0.009% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.90 +/- 1.10   0.004% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.92 +/- 1.00   0.002% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  23.71 +/- 1.50   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.57 +/- 0.07  99.999% * 99.9233% (0.84  10.0   5.47  50.10) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.58 +/- 0.77   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  23.48 +/- 1.49   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.45:
        T QB    ALA   64 - HA    GLN   17   3.21 +/- 0.37  99.654% * 97.4187% (0.69 10.00   1.22   2.45) =  99.996%  kept
        T QG1   VAL   42 - HA    GLN   17   8.74 +/- 0.90   0.336% *  1.1288% (0.49 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HA    GLN   17  16.39 +/- 1.13   0.007% *  1.4066% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  19.79 +/- 2.57   0.003% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.0:
      O   HN    VAL   18 - HB    VAL   18   2.67 +/- 0.37  99.996% * 99.9233% (0.84  10.0   4.99  77.00) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.40 +/- 0.83   0.003% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  19.31 +/- 1.80   0.001% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 2.95:
        T HB2   PHE   72 - HA    VAL   18   2.61 +/- 0.62  98.188% * 98.2736% (0.49 10.00   0.75   2.95) =  99.990%  kept
          HA    ALA   64 - HA    VAL   18   5.71 +/- 0.63   1.810% *  0.5277% (0.98  1.00   0.02   8.65) =   0.010%
        T HB3   ASN   35 - HA    VAL   18  17.92 +/- 0.81   0.002% *  1.1986% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.91, residual support = 22.2:
      O   HN    ILE   19 - HA    VAL   18   2.26 +/- 0.04  98.893% * 99.7159% (0.73  10.0   4.91  22.21) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.06 +/- 0.50   1.007% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   7.24 +/- 0.44   0.099% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  16.65 +/- 1.17   0.001% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.565, support = 0.0199, residual support = 0.735:
          HG    LEU   73 - QG1   VAL   18   6.04 +/- 1.04  32.970% *  8.7275% (0.61   0.02   0.02) =  53.167%  kept
          QB    ALA   61 - QG1   VAL   18   5.44 +/- 1.19  52.491% *  2.2202% (0.15   0.02   3.34) =  21.534%  kept
          HG    LEU   67 - QG1   VAL   18   8.49 +/- 1.56   5.602% * 14.3572% (1.00   0.02   0.02) =  14.861%  kept
          HB3   LEU   67 - QG1   VAL   18   8.24 +/- 1.10   4.949% *  3.5880% (0.25   0.02   0.02) =   3.281%  kept
          HG    LEU   40 - QG1   VAL   18  10.69 +/- 1.68   1.111% * 14.2618% (0.99   0.02   0.02) =   2.928%  kept
          QG    LYS+  66 - QG1   VAL   18   9.87 +/- 1.00   1.244% *  5.9156% (0.41   0.02   0.02) =   1.360%  kept
          HB3   LEU  115 - QG1   VAL   18  12.07 +/- 1.14   0.378% * 14.2618% (0.99   0.02   0.02) =   0.997%  kept
          HB3   LEU   40 - QG1   VAL   18  11.00 +/- 1.11   0.667% *  6.4511% (0.45   0.02   0.02) =   0.795%  kept
          HG    LEU  115 - QG1   VAL   18  12.62 +/- 1.86   0.341% *  9.8840% (0.69   0.02   0.02) =   0.623%  kept
          QB    ALA  120 - QG1   VAL   18  13.40 +/- 1.34   0.206% *  9.8840% (0.69   0.02   0.02) =   0.376%
          HG2   LYS+ 102 - QG1   VAL   18  17.46 +/- 1.48   0.041% * 10.4487% (0.73   0.02   0.02) =   0.078%
    Distance limit 2.86 A violated in 19 structures by 1.70 A, eliminated.
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.42:
        T QB    ALA   34 - QG1   VAL   41   1.68 +/- 0.09  99.952% * 97.8928% (0.49 10.00   2.96   9.42) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.48 +/- 0.61   0.002% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.54 +/- 1.21   0.012% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.79 +/- 0.87   0.013% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.71 +/- 0.84   0.003% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.30 +/- 1.54   0.000% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.50 +/- 0.74   0.001% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  12.11 +/- 0.61   0.001% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.35 +/- 0.72   0.001% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.49 +/- 1.00   0.008% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  14.67 +/- 2.47   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  13.98 +/- 1.03   0.000% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.35 +/- 1.60   0.003% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.84 +/- 0.78   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.99 +/- 1.22   0.000% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  13.47 +/- 1.53   0.000% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.75 +/- 1.34   0.000% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.72 +/- 1.01   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.834, support = 3.98, residual support = 74.0:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.02  75.509% * 91.8672% (0.84  10.0 10.00   4.00  74.43) =  99.387%  kept
          HB2   LEU   71 - QG1   VAL   41   4.06 +/- 1.93  13.263% *  2.8331% (0.69   1.0  1.00   0.75   3.02) =   0.538%  kept
          HB3   GLN   17 - QG2   VAL   18   4.63 +/- 0.88   1.484% *  3.4606% (0.15   1.0  1.00   4.16  50.10) =   0.074%
          QB    LYS+ 102 - QD2   LEU  104   3.48 +/- 0.66   8.948% *  0.0049% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QG2   VAL   18   6.07 +/- 1.16   0.259% *  0.0610% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   8.50 +/- 1.43   0.046% *  0.0919% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  10.92 +/- 0.95   0.005% *  0.7021% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.11 +/- 0.92   0.031% *  0.0811% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   8.52 +/- 1.17   0.031% *  0.0755% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.71 +/- 1.37   0.033% *  0.0493% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.60 +/- 0.84   0.348% *  0.0041% (0.04   1.0  1.00   0.02  37.29) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   9.01 +/- 0.47   0.014% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.36 +/- 1.79   0.008% *  0.0824% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.10 +/- 0.87   0.002% *  0.1061% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  12.94 +/- 0.74   0.002% *  0.0799% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  11.67 +/- 0.95   0.003% *  0.0218% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.88 +/- 1.26   0.001% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.09 +/- 1.91   0.001% *  0.0346% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  15.94 +/- 1.31   0.001% *  0.0702% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.46 +/- 1.07   0.000% *  0.1078% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.76 +/- 1.20   0.001% *  0.0346% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.48 +/- 1.38   0.006% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  17.56 +/- 3.66   0.000% *  0.0452% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.74 +/- 1.53   0.002% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.41 +/- 1.21   0.000% *  0.0452% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  15.15 +/- 3.89   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.65 +/- 1.25   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.17 +/- 0.67   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.35 +/- 1.21   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  22.04 +/- 1.31   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.628, support = 2.02, residual support = 10.1:
          HB3   LEU   40 - QG1   VAL   41   5.31 +/- 0.36   4.376% * 83.5548% (0.46   3.79  19.76) =  50.589%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.70 +/- 2.32  35.300% *  8.5853% (0.76   0.24   0.02) =  41.934%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.15 +/- 1.38  56.322% *  0.9439% (0.99   0.02   0.99) =   7.356%  kept
          QG2   THR   26 - QG1   VAL   41   7.95 +/- 0.74   0.425% *  0.6079% (0.64   0.02   0.02) =   0.036%
          HB3   LEU   40 - QD2   LEU  104   7.09 +/- 1.32   2.305% *  0.0888% (0.09   0.02   0.02) =   0.028%
          QG2   THR   26 - QG2   VAL   18   8.81 +/- 0.68   0.208% *  0.7955% (0.84   0.02   0.02) =   0.023%
          HB2   LYS+  74 - QG1   VAL   41  10.20 +/- 0.76   0.085% *  0.7214% (0.76   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - QD2   LEU  104  10.12 +/- 4.78   0.566% *  0.1005% (0.11   0.02   0.02) =   0.008%
          QD    LYS+  66 - QG2   VAL   18   9.62 +/- 0.91   0.136% *  0.2939% (0.31   0.02   0.02) =   0.006%
          HB3   LEU   40 - QG2   VAL   18  11.63 +/- 0.93   0.042% *  0.5776% (0.61   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  12.12 +/- 1.66   0.042% *  0.3574% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QG2   VAL   18  14.86 +/- 2.26   0.017% *  0.6542% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  65 - QG1   VAL   41  14.04 +/- 1.40   0.015% *  0.5562% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  12.90 +/- 1.12   0.022% *  0.3574% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG1   VAL   41  15.11 +/- 3.61   0.013% *  0.4999% (0.52   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  13.67 +/- 1.13   0.016% *  0.2246% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU  104  11.90 +/- 2.79   0.053% *  0.0549% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - QG1   VAL   41  15.20 +/- 2.27   0.010% *  0.2732% (0.29   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  17.37 +/- 2.56   0.005% *  0.2732% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.28 +/- 1.14   0.008% *  0.1222% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.15 +/- 2.10   0.021% *  0.0452% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.49 +/- 1.10   0.005% *  0.1450% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.80 +/- 2.23   0.009% *  0.0549% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.82 +/- 1.42   0.003% *  0.1118% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 3.34:
        T HA    ALA   61 - QG2   VAL   18   3.57 +/- 1.17  96.727% * 97.7261% (0.87 10.00   0.99   3.34) =  99.994%  kept
        T HA    ALA   61 - QG1   VAL   41  12.97 +/- 1.01   0.100% *  1.5142% (0.66 10.00   0.02   0.02) =   0.002%
          HD2   PRO   68 - QG1   VAL   41  10.52 +/- 1.48   0.823% *  0.1711% (0.75  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QG2   VAL   18  10.02 +/- 0.67   0.589% *  0.2239% (0.98  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QG1   VAL   41  11.05 +/- 0.68   0.352% *  0.0850% (0.37  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   18   9.54 +/- 0.84   0.585% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  12.27 +/- 1.90   0.583% *  0.0344% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QG2   VAL   18  13.29 +/- 0.75   0.170% *  0.1112% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.64 +/- 1.13   0.027% *  0.0304% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  18.20 +/- 1.16   0.016% *  0.0345% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  17.82 +/- 1.13   0.016% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  19.41 +/- 1.42   0.012% *  0.0069% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 8 structures by 0.89 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 74.4:
      O T HA    VAL   41 - QG1   VAL   41   2.36 +/- 0.27  99.731% * 98.8372% (0.65  10.0 10.00   4.22  74.43) = 100.000%  kept
        T HA    VAL   41 - QG2   VAL   18   9.27 +/- 0.65   0.037% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   8.30 +/- 1.05   0.110% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   9.17 +/- 1.05   0.049% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  11.79 +/- 0.42   0.008% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  14.24 +/- 4.71   0.006% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  14.03 +/- 2.00   0.004% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  10.87 +/- 5.53   0.054% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.54 +/- 0.83   0.002% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 0.75, residual support = 3.1:
          QD    PHE   60 - QG1   VAL   18   4.30 +/- 0.76  96.223% * 95.5540% (1.00   0.75   3.10) =  99.949%  kept
          HN    LYS+  66 - QG1   VAL   18   8.70 +/- 0.94   1.999% *  1.7503% (0.69   0.02   0.02) =   0.038%
          QE    PHE   59 - QG1   VAL   18  10.06 +/- 2.36   1.640% *  0.5673% (0.22   0.02   0.02) =   0.010%
          HN    LYS+  81 - QG1   VAL   18  13.80 +/- 0.58   0.137% *  2.1284% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.02 A violated in 14 structures by 1.32 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.0:
          HN    VAL   18 - QG1   VAL   18   3.59 +/- 0.17  99.971% * 99.8233% (0.92   5.49  77.00) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  14.15 +/- 0.63   0.029% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.987, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.45 +/- 0.56  98.861% * 88.9057% (0.31   0.99   0.99) =  99.945%  kept
          HN    THR   46 - QG1   VAL   18   7.75 +/- 0.79   1.061% *  4.2378% (0.73   0.02   0.02) =   0.051%
          HN    MET   92 - QG1   VAL   18  13.61 +/- 1.21   0.064% *  5.2339% (0.90   0.02   0.02) =   0.004%
          HN    ASP- 113 - QG1   VAL   18  16.44 +/- 1.15   0.015% *  1.6226% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 22.2:
          HN    ILE   19 - QG1   VAL   18   2.41 +/- 0.29  87.722% * 99.8074% (0.84   4.91  22.21) =  99.986%  kept
          HN    LEU   73 - QG1   VAL   18   4.03 +/- 1.12  11.994% *  0.0963% (0.20   0.02   0.02) =   0.013%
          HN    VAL   42 - QG1   VAL   18   6.73 +/- 1.09   0.284% *  0.0963% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.8, support = 2.36, residual support = 3.1:
          QD    PHE   60 - QG2   VAL   18   3.99 +/- 0.78  90.931% * 94.9964% (0.80   2.37   3.10) =  99.924%  kept
          HN    LYS+  66 - QG2   VAL   18   7.15 +/- 1.04   5.104% *  0.9833% (0.98   0.02   0.02) =   0.058%
          QE    PHE   59 - QG2   VAL   18   9.48 +/- 1.75   1.219% *  0.5680% (0.57   0.02   0.02) =   0.008%
          HN    PHE   59 - QG2   VAL   18   8.70 +/- 0.78   1.594% *  0.2233% (0.22   0.02   0.02) =   0.004%
          QD    PHE   60 - QG1   VAL   41  10.81 +/- 1.08   0.486% *  0.6139% (0.61   0.02   0.02) =   0.003%
          HN    LYS+  66 - QG1   VAL   41  12.80 +/- 0.84   0.127% *  0.7515% (0.75   0.02   0.02) =   0.001%
          QE    PHE   59 - QG1   VAL   41  14.64 +/- 2.92   0.108% *  0.4341% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  81 - QG2   VAL   18  15.46 +/- 0.90   0.043% *  0.4498% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  13.47 +/- 1.18   0.120% *  0.1234% (0.12   0.02   0.02) =   0.000%
          QE    PHE   59 - QD2   LEU  104  13.86 +/- 2.97   0.137% *  0.0873% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  16.15 +/- 0.71   0.032% *  0.3437% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  14.94 +/- 1.51   0.048% *  0.1511% (0.15   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  16.89 +/- 1.03   0.026% *  0.1707% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  17.87 +/- 1.33   0.017% *  0.0343% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  21.03 +/- 1.01   0.007% *  0.0691% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 11 structures by 0.99 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.25, residual support = 77.0:
          HN    VAL   18 - QG2   VAL   18   2.09 +/- 0.47  99.685% * 98.1388% (0.61   5.25  77.00) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   6.56 +/- 0.70   0.244% *  0.1175% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   8.72 +/- 0.64   0.041% *  0.3421% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  10.75 +/- 0.89   0.013% *  0.2857% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.13 +/- 0.91   0.003% *  0.4476% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.32 +/- 0.86   0.007% *  0.1537% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  14.65 +/- 1.35   0.002% *  0.1454% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  16.40 +/- 1.34   0.001% *  0.1902% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.04 +/- 1.19   0.001% *  0.0688% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  16.93 +/- 1.09   0.001% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.35 +/- 1.18   0.001% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.94 +/- 2.15   0.001% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.54, residual support = 74.4:
          HN    VAL   41 - QG1   VAL   41   2.96 +/- 0.43  98.388% * 98.4924% (0.14   4.54  74.43) =  99.999%  kept
          HN    VAL   41 - QD2   LEU  104   6.98 +/- 1.12   1.098% *  0.0233% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  12.55 +/- 0.97   0.026% *  0.6342% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.66 +/- 0.28   0.432% *  0.0341% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.39 +/- 0.63   0.041% *  0.3314% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.08 +/- 1.24   0.015% *  0.4846% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.17 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   2.36 +/- 0.33  99.932% * 98.5344% (0.36   5.34  87.03) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   9.73 +/- 2.25   0.053% *  0.1778% (0.17   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  13.86 +/- 2.14   0.010% *  0.5086% (0.49   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.47 +/- 1.91   0.005% *  0.7792% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.466, residual support = 0.647:
        T QG2   VAL   24 - QG1   VAL   83   3.07 +/- 2.36  67.188% * 64.2060% (0.46 10.00   0.31   0.65) =  83.729%  kept
          QG1   VAL   24 - QG1   VAL   83   3.73 +/- 2.02  32.434% * 25.7866% (0.46  1.00   1.26   0.65) =  16.233%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.68 +/- 1.12   0.254% *  6.7614% (0.75 10.00   0.02   0.02) =   0.033%
        T HG    LEU   63 - QG1   VAL   83  17.66 +/- 1.98   0.073% *  2.9255% (0.33 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - QG1   VAL   83  21.86 +/- 1.93   0.051% *  0.3205% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 2 structures by 0.58 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 = 0.553, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.57 +/- 0.61  13.139% * 27.9530% (0.14 10.00   0.02   0.02) =  31.279%  kept
          HB3   PHE   97 - HA    ILE   19  16.12 +/- 1.35  16.673% * 19.0666% (0.92  1.00   0.02   0.02) =  27.074%  kept
          HB2   PRO   58 - HA    ILE   19  17.23 +/- 1.52  11.995% * 19.0666% (0.92  1.00   0.02   0.02) =  19.477%  kept
          QG    GLU-  79 - HA    ILE   19  13.18 +/- 1.13  51.845% *  3.1869% (0.15  1.00   0.02   0.02) =  14.071%  kept
          HB2   GLU- 100 - HA    ILE   19  20.14 +/- 1.27   4.198% * 14.1878% (0.69  1.00   0.02   0.02) =   5.073%  kept
          HB2   GLN  116 - HA    ILE   19  22.81 +/- 1.94   2.149% * 16.5389% (0.80  1.00   0.02   0.02) =   3.027%  kept
    Distance limit 3.71 A violated in 20 structures by 8.00 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.05, residual support = 25.3:
      O   HN    ALA   20 - HA    ILE   19   2.29 +/- 0.04  99.996% * 99.9363% (0.73  10.0   5.05  25.26) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  12.63 +/- 0.48   0.004% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.30 +/- 2.41   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.78, residual support = 175.9:
      O   HN    ILE   19 - HA    ILE   19   2.88 +/- 0.03  99.356% * 99.8764% (0.98  10.0   6.78 175.90) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   6.90 +/- 0.17   0.542% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19   9.50 +/- 0.77   0.102% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   2.20 +/- 0.37 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.0, residual support = 175.9:
      O   HN    ILE   19 - HB    ILE   19   2.43 +/- 0.19  96.998% * 99.6598% (0.65  10.0   6.00 175.90) =  99.995%  kept
          HN    LEU   73 - HB    ILE   19   4.65 +/- 0.37   2.473% *  0.1487% (0.97   1.0   0.02   4.00) =   0.004%
          HN    VAL   42 - HB    ILE   19   7.15 +/- 0.85   0.528% *  0.1487% (0.97   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB    ILE   19  17.83 +/- 1.24   0.001% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 175.9:
      O   HG13  ILE   19 - QG2   ILE   19   3.01 +/- 0.21  97.511% * 98.1968% (0.28  10.0   4.89 175.90) =  99.995%  kept
          QB    ALA   34 - QG2   ILE   19   7.15 +/- 0.57   0.717% *  0.3501% (0.99   1.0   0.02   0.02) =   0.003%
          QG2   THR   23 - QG2   ILE   19   7.69 +/- 0.40   0.416% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   THR   39 - QG2   ILE   19   8.36 +/- 0.95   0.341% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   6.82 +/- 0.68   0.972% *  0.0478% (0.14   1.0   0.02   8.65) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  13.06 +/- 1.36   0.018% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.72 +/- 0.73   0.008% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.96 +/- 1.00   0.008% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.87 +/- 1.28   0.009% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 175.9:
      O   HG12  ILE   19 - QG2   ILE   19   2.83 +/- 0.28  88.713% * 99.0974% (0.95  10.0  1.00   5.44 175.90) =  99.994%  kept
          HG    LEU   73 - QG2   ILE   19   4.97 +/- 0.93   6.235% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - QG2   ILE   19   4.97 +/- 0.71   4.707% *  0.0393% (0.38   1.0  1.00   0.02   8.65) =   0.002%
        T QB    LEU   98 - QG2   ILE   19  10.14 +/- 1.18   0.072% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19   9.32 +/- 0.97   0.090% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19   9.75 +/- 0.95   0.069% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.63 +/- 0.83   0.043% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  10.15 +/- 0.70   0.052% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.44 +/- 0.74   0.009% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  15.51 +/- 2.20   0.006% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.14 +/- 2.02   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.93 +/- 2.84   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 175.9:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  93.216% * 99.2447% (0.80  10.0   4.89 175.90) =  99.998%  kept
          HG3   GLN   30 - QG2   ILE   19   4.08 +/- 0.94   6.657% *  0.0276% (0.22   1.0   0.02  14.90) =   0.002%
          HB2   GLN   17 - QG2   ILE   19   7.12 +/- 0.41   0.070% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.79 +/- 0.61   0.044% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19  10.07 +/- 0.67   0.009% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.91 +/- 1.67   0.002% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  14.17 +/- 1.04   0.001% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.59 +/- 1.17   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  20.93 +/- 1.63   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 14.9:
          HG2   GLN   30 - QG2   ILE   19   3.85 +/- 0.82  99.369% * 96.5693% (0.65   2.13  14.90) =  99.996%  kept
          HB3   ASN   28 - QG2   ILE   19  10.12 +/- 0.63   0.448% *  0.5753% (0.41   0.02   0.02) =   0.003%
          HB3   HIS  122 - QG2   ILE   19  16.26 +/- 3.01   0.053% *  1.2139% (0.87   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   ILE   19  17.16 +/- 2.52   0.031% *  1.3963% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.32 +/- 0.97   0.098% *  0.2451% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 2 structures by 0.36 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 175.9:
      O   HA    ILE   19 - QG2   ILE   19   2.47 +/- 0.24  99.961% * 99.7522% (0.92  10.0   5.75 175.90) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.95 +/- 0.55   0.034% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  15.80 +/- 1.21   0.002% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  15.58 +/- 1.07   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.66, residual support = 25.3:
          HN    ALA   20 - QG2   ILE   19   2.32 +/- 0.24  99.983% * 97.8980% (0.31   3.66  25.26) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  10.60 +/- 0.70   0.017% *  1.2585% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  18.41 +/- 2.07   0.001% *  0.8436% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.75, residual support = 175.8:
          HN    ILE   19 - QG2   ILE   19   3.61 +/- 0.24  90.210% * 98.8279% (0.65   5.76 175.90) =  99.944%  kept
          HN    LEU   73 - QG2   ILE   19   5.60 +/- 0.59   7.193% *  0.5123% (0.97   0.02   4.00) =   0.041%
          HN    VAL   42 - QG2   ILE   19   7.55 +/- 0.88   2.586% *  0.5123% (0.97   0.02   0.02) =   0.015%
          HN    LYS+ 106 - QG2   ILE   19  16.52 +/- 1.17   0.011% *  0.1476% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.44, support = 0.0199, residual support = 0.163:
          QD2   LEU   67 - HG13  ILE   19   8.77 +/- 2.03  13.867% * 39.2581% (0.69   0.02   0.02) =  51.923%  kept
          QD2   LEU   67 - HG    LEU   71   7.01 +/- 2.05  42.208% *  5.6275% (0.10   0.02   0.02) =  22.654%  kept
          QD1   LEU   40 - HG13  ILE   19  10.25 +/- 1.53   5.525% * 23.4959% (0.41   0.02   0.02) =  12.382%  kept
          QD1   LEU   40 - HG    LEU   71   7.28 +/- 1.40  33.089% *  3.3680% (0.06   0.02   1.36) =  10.629%  kept
          QG2   ILE  119 - HG13  ILE   19  14.67 +/- 2.76   0.798% * 15.8904% (0.28   0.02   0.02) =   1.210%  kept
          QG2   ILE  119 - HG    LEU   71  14.52 +/- 4.14   3.450% *  2.2778% (0.04   0.02   0.02) =   0.749%  kept
          QD1   ILE  103 - HG13  ILE   19  15.20 +/- 1.41   0.449% *  8.8183% (0.15   0.02   0.02) =   0.378%
          QD1   ILE  103 - HG    LEU   71  13.85 +/- 1.26   0.614% *  1.2641% (0.02   0.02   0.02) =   0.074%
    Distance limit 2.96 A violated in 19 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 6.0, residual support = 175.9:
          HN    ILE   19 - HG13  ILE   19   2.79 +/- 0.66  95.566% * 98.6687% (0.65   6.00 175.90) =  99.990%  kept
          HN    LEU   73 - HG13  ILE   19   6.09 +/- 0.65   1.248% *  0.4909% (0.97   0.02   4.00) =   0.006%
          HN    VAL   42 - HG13  ILE   19   7.86 +/- 1.23   0.272% *  0.4909% (0.97   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   71   6.77 +/- 0.75   1.086% *  0.0704% (0.14   0.02   2.24) =   0.001%
          HN    LEU   73 - HG    LEU   71   7.69 +/- 0.84   0.828% *  0.0704% (0.14   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   71   7.71 +/- 1.23   0.994% *  0.0472% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG13  ILE   19  18.95 +/- 1.34   0.002% *  0.1414% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.66 +/- 2.28   0.004% *  0.0203% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 14.9:
          HE22  GLN   30 - QG2   ILE   19   3.59 +/- 0.85  99.128% * 97.3475% (0.41   2.13  14.90) =  99.991%  kept
          HD22  ASN   69 - QG2   ILE   19  13.35 +/- 1.48   0.278% *  2.2135% (1.00   0.02   0.02) =   0.006%
          QE    PHE   45 - QG2   ILE   19   9.46 +/- 0.79   0.594% *  0.4390% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.01, residual support = 14.9:
          HE21  GLN   30 - QG2   ILE   19   3.02 +/- 1.06  99.504% * 97.4229% (1.00   2.01  14.90) =  99.996%  kept
          HD1   TRP   27 - QG2   ILE   19   9.17 +/- 0.66   0.449% *  0.8410% (0.87   0.02   0.02) =   0.004%
          QD    PHE   59 - QG2   ILE   19  14.00 +/- 1.25   0.042% *  0.8410% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  19.89 +/- 2.00   0.005% *  0.8950% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.24, residual support = 14.9:
          HE22  GLN   30 - QD1   ILE   19   4.69 +/- 1.44  99.506% * 93.9884% (0.25   2.24  14.90) =  99.990%  kept
          HN    CYS   50 - QD1   ILE   19  17.69 +/- 1.29   0.140% *  2.6911% (0.80   0.02   0.02) =   0.004%
          HN    VAL   83 - QD1   ILE   19  15.06 +/- 0.95   0.249% *  1.1464% (0.34   0.02   0.02) =   0.003%
          HN    TRP   49 - QD1   ILE   19  18.14 +/- 1.28   0.104% *  2.1741% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 8 structures by 0.91 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  16.91 +/- 1.26 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 13.03 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 25.3:
          HA    ILE   19 - QB    ALA   20   3.86 +/- 0.04  99.756% * 98.7254% (0.92   3.85  25.26) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.69 +/- 0.38   0.132% *  0.5557% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  13.74 +/- 1.23   0.059% *  0.3817% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.27 +/- 1.83   0.052% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.856, support = 0.02, residual support = 7.11:
          QE    LYS+  74 - QB    ALA   20   5.94 +/- 0.68  78.073% * 25.4326% (0.90   0.02   8.34) =  85.143%  kept
          HB2   PHE   72 - QB    ALA   20   8.01 +/- 0.50  14.790% * 16.0552% (0.57   0.02   0.02) =  10.182%  kept
          QB    CYS   50 - QB    ALA   20  10.66 +/- 1.41   3.251% * 26.1780% (0.92   0.02   0.02) =   3.650%  kept
          HB3   ASP-  78 - QB    ALA   20  10.50 +/- 1.22   3.680% *  4.9664% (0.18   0.02   0.02) =   0.784%  kept
          HB3   ASN   69 - QB    ALA   20  16.30 +/- 0.76   0.206% * 27.3678% (0.97   0.02   0.02) =   0.241%
    Distance limit 3.55 A violated in 20 structures by 2.13 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.917, support = 2.08, residual support = 5.1:
          HD2   HIS   22 - QB    ALA   20   3.46 +/- 0.65  95.415% * 71.2018% (0.92   2.09   5.19) =  98.350%  kept
          HN    THR   23 - QB    ALA   20   6.24 +/- 0.22   4.289% * 26.5447% (0.53   1.37   0.02) =   1.648%  kept
          QE    PHE   95 - QB    ALA   20  10.83 +/- 1.00   0.192% *  0.3590% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   20  13.15 +/- 0.73   0.048% *  0.6615% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - QB    ALA   20  14.43 +/- 1.55   0.028% *  0.7311% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  17.73 +/- 0.54   0.008% *  0.3881% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  15.79 +/- 1.85   0.019% *  0.1138% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.78, residual support = 14.6:
          HN    CYS   21 - QB    ALA   20   3.56 +/- 0.02  99.721% * 99.1048% (0.95   3.78  14.65) =  99.999%  kept
          HN    ILE   89 - QB    ALA   20  15.03 +/- 2.77   0.208% *  0.1709% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - QB    ALA   20  12.61 +/- 0.46   0.052% *  0.3359% (0.61   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.06 +/- 1.02   0.006% *  0.2914% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.93 +/- 0.69   0.013% *  0.0970% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.28 +/- 0.06  99.989% * 99.6086% (0.31  10.0   3.73  15.22) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.54 +/- 0.54   0.011% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  17.79 +/- 2.15   0.001% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.502, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  10.64 +/- 1.24  27.305% *  9.0526% (0.65   0.02   0.02) =  41.588%  kept
          QB    LYS+  33 - HB2   CYS   21  10.04 +/- 1.08  39.199% *  4.7734% (0.34   0.02   0.02) =  31.481%  kept
          QB    LYS+  81 - HB2   CYS   21  12.28 +/- 1.46  15.184% *  3.1155% (0.22   0.02   0.02) =   7.959%  kept
          HG12  ILE  103 - HB2   CYS   21  15.71 +/- 2.11   2.971% * 11.2053% (0.80   0.02   0.02) =   5.601%  kept
          HB3   GLN   90 - HB2   CYS   21  17.65 +/- 3.14   3.824% *  3.8908% (0.28   0.02   0.02) =   2.503%  kept
          HG2   ARG+  54 - HB2   CYS   21  18.91 +/- 2.33   1.530% *  6.8115% (0.49   0.02   0.02) =   1.753%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.17 +/- 1.55   3.495% *  2.7693% (0.20   0.02   0.02) =   1.628%  kept
          HB    ILE  103 - HB2   CYS   21  17.88 +/- 1.52   1.208% *  7.3624% (0.53   0.02   0.02) =   1.497%  kept
          QB    LYS+  66 - HB2   CYS   21  17.44 +/- 0.81   1.388% *  6.2738% (0.45   0.02   0.02) =   1.465%  kept
          HB3   PRO   52 - HB2   CYS   21  20.64 +/- 2.03   0.604% * 13.7167% (0.98   0.02   0.02) =   1.393%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.57 +/- 1.27   1.044% *  6.2738% (0.45   0.02   0.02) =   1.101%  kept
          HG2   PRO   93 - HB2   CYS   21  17.78 +/- 1.80   1.464% *  3.1155% (0.22   0.02   0.02) =   0.767%  kept
          HG3   PRO   68 - HB2   CYS   21  20.13 +/- 0.91   0.559% *  7.9226% (0.57   0.02   0.02) =   0.745%  kept
          HG    LEU  123 - HB2   CYS   21  24.24 +/- 3.08   0.225% * 13.7167% (0.98   0.02   0.02) =   0.518%  kept
    Distance limit 3.64 A violated in 20 structures by 4.74 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.573, support = 1.12, residual support = 2.19:
          QD1   LEU   73 - HB2   CYS   21   5.27 +/- 1.01  28.812% * 51.8250% (0.80   1.08   2.74) =  47.596%  kept
          QD2   LEU   80 - HB2   CYS   21   4.45 +/- 1.01  46.561% * 27.0181% (0.41   1.10   1.68) =  40.099%  kept
          QD1   LEU   80 - HB2   CYS   21   5.29 +/- 1.22  21.895% * 17.5750% (0.22   1.32   1.68) =  12.266%  kept
          QG2   VAL   41 - HB2   CYS   21   7.77 +/- 0.91   2.056% *  0.4492% (0.38   0.02   0.02) =   0.029%
          QD2   LEU   98 - HB2   CYS   21   9.71 +/- 1.32   0.476% *  0.2665% (0.22   0.02   0.02) =   0.004%
          QD1   LEU   63 - HB2   CYS   21  12.86 +/- 1.60   0.089% *  0.9584% (0.80   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   CYS   21  13.71 +/- 1.79   0.067% *  1.1048% (0.92   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   CYS   21  17.07 +/- 2.26   0.025% *  0.5366% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.14 +/- 1.15   0.020% *  0.2665% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.75, residual support = 28.7:
      O T HA    CYS   21 - HB2   CYS   21   2.88 +/- 0.26  99.991% * 99.6850% (0.92  10.0 10.00   2.75  28.66) = 100.000%  kept
          HA    CYS   50 - HB2   CYS   21  16.61 +/- 1.43   0.004% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  18.23 +/- 1.57   0.002% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  18.27 +/- 1.37   0.002% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  21.34 +/- 1.89   0.001% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.746, support = 2.87, residual support = 5.27:
          HD2   HIS   22 - HB2   CYS   21   5.25 +/- 0.72  30.203% * 73.1220% (0.92   3.47   6.26) =  55.479%  kept
          HN    THR   23 - HB2   CYS   21   4.39 +/- 0.26  69.546% * 25.4832% (0.53   2.12   4.02) =  44.519%  kept
          QE    PHE   95 - HB2   CYS   21  12.24 +/- 1.05   0.168% *  0.2222% (0.49   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   CYS   21  17.55 +/- 2.13   0.021% *  0.4525% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  16.82 +/- 0.90   0.023% *  0.4094% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  16.14 +/- 0.74   0.028% *  0.2402% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  19.95 +/- 1.84   0.011% *  0.0704% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.4, residual support = 28.7:
      O   HN    CYS   21 - HB2   CYS   21   2.71 +/- 0.33  99.929% * 99.8294% (0.95  10.0   3.40  28.66) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.88 +/- 0.91   0.047% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  13.99 +/- 2.37   0.019% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.70 +/- 0.92   0.004% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.04 +/- 1.97   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.324, support = 0.0198, residual support = 0.0198:
          QB    LYS+  33 - HB3   CYS   21   9.65 +/- 0.92  48.541% *  4.7734% (0.23   0.02   0.02) =  40.665%  kept
          HB    VAL   41 - HB3   CYS   21  11.00 +/- 1.14  22.776% *  9.0526% (0.44   0.02   0.02) =  36.186%  kept
          QB    LYS+  81 - HB3   CYS   21  12.16 +/- 1.31  15.517% *  3.1155% (0.15   0.02   0.02) =   8.484%  kept
          HG12  ILE  103 - HB3   CYS   21  16.22 +/- 2.10   2.462% * 11.2053% (0.55   0.02   0.02) =   4.841%  kept
          HB3   GLN   90 - HB3   CYS   21  18.35 +/- 2.99   2.545% *  3.8908% (0.19   0.02   0.02) =   1.738%  kept
          HB    ILE  103 - HB3   CYS   21  18.40 +/- 1.63   1.055% *  7.3624% (0.36   0.02   0.02) =   1.363%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.02 +/- 1.49   2.525% *  2.7693% (0.14   0.02   0.02) =   1.227%  kept
          QB    LYS+  66 - HB3   CYS   21  18.51 +/- 0.81   1.001% *  6.2738% (0.31   0.02   0.02) =   1.102%  kept
          HG2   ARG+  54 - HB3   CYS   21  20.11 +/- 2.34   0.860% *  6.8115% (0.33   0.02   0.02) =   1.028%  kept
          HB3   PRO   52 - HB3   CYS   21  21.77 +/- 1.74   0.410% * 13.7167% (0.67   0.02   0.02) =   0.987%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.52 +/- 1.23   0.809% *  6.2738% (0.31   0.02   0.02) =   0.891%  kept
          HG3   PRO   68 - HB3   CYS   21  21.03 +/- 0.94   0.446% *  7.9226% (0.39   0.02   0.02) =   0.620%  kept
          HG2   PRO   93 - HB3   CYS   21  18.99 +/- 1.45   0.896% *  3.1155% (0.15   0.02   0.02) =   0.490%
          HG    LEU  123 - HB3   CYS   21  25.48 +/- 3.06   0.157% * 13.7167% (0.67   0.02   0.02) =   0.379%
    Distance limit 3.74 A violated in 20 structures by 4.71 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.74:
          QG2   THR   26 - HB3   CYS   21   2.12 +/- 0.29  99.878% * 95.4718% (0.60   2.00   2.74) =  99.999%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.21 +/- 0.68   0.120% *  1.0982% (0.69   0.02   9.85) =   0.001%
          HB3   LEU   40 - HB3   CYS   21  16.21 +/- 1.05   0.001% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  17.96 +/- 2.24   0.001% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.68 +/- 2.91   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  20.53 +/- 0.94   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.86 +/- 2.72   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.93 +/- 1.76   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.353, support = 1.12, residual support = 2.02:
          QD2   LEU   80 - HB3   CYS   21   4.08 +/- 0.80  59.098% * 26.8481% (0.28   1.10   1.68) =  55.431%  kept
          QD1   LEU   73 - HB3   CYS   21   5.63 +/- 1.20  17.293% * 53.3315% (0.55   1.12   2.74) =  32.219%  kept
          QD1   LEU   80 - HB3   CYS   21   5.07 +/- 1.02  21.687% * 16.2610% (0.15   1.23   1.68) =  12.320%  kept
          QG2   VAL   41 - HB3   CYS   21   8.06 +/- 0.90   1.426% *  0.4464% (0.26   0.02   0.02) =   0.022%
          QD2   LEU   98 - HB3   CYS   21  10.09 +/- 1.28   0.370% *  0.2648% (0.15   0.02   0.02) =   0.003%
          QD1   LEU   63 - HB3   CYS   21  13.93 +/- 1.39   0.054% *  0.9523% (0.55   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   CYS   21  14.74 +/- 1.65   0.042% *  1.0979% (0.63   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   CYS   21  18.19 +/- 2.31   0.015% *  0.5332% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.68 +/- 1.08   0.016% *  0.2648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.31, residual support = 28.7:
      O   HN    CYS   21 - HB3   CYS   21   3.63 +/- 0.12  99.720% * 99.8294% (0.65  10.0   3.31  28.66) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.34 +/- 0.59   0.201% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  14.54 +/- 1.97   0.061% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.50 +/- 0.70   0.017% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.32 +/- 1.89   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.75, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.47 +/- 0.63  99.784% * 88.5689% (0.52   0.75   1.50) =  99.995%  kept
          HD1   TRP   87 - HB3   CYS   21  11.72 +/- 0.87   0.090% *  2.8534% (0.63   0.02   0.02) =   0.003%
          HN    THR   39 - HB3   CYS   21  15.60 +/- 0.71   0.026% *  2.9240% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   CYS   21  14.68 +/- 0.62   0.036% *  1.7500% (0.39   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   CYS   21  16.53 +/- 1.06   0.020% *  1.0544% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  17.45 +/- 1.92   0.010% *  1.2708% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  14.40 +/- 1.03   0.026% *  0.4183% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  18.22 +/- 1.76   0.009% *  1.1601% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.434, support = 2.48, residual support = 4.62:
          HN    THR   23 - HB3   CYS   21   3.45 +/- 0.49  91.488% * 19.9939% (0.36   1.86   4.02) =  73.342%  kept
          HD2   HIS   22 - HB3   CYS   21   5.49 +/- 0.40   8.441% * 78.7610% (0.63   4.19   6.26) =  26.657%  kept
          QE    PHE   95 - HB3   CYS   21  13.48 +/- 0.93   0.039% *  0.1984% (0.33   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.92 +/- 0.96   0.008% *  0.3655% (0.62   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  15.67 +/- 0.70   0.013% *  0.2144% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  18.36 +/- 1.80   0.007% *  0.4039% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.12 +/- 1.75   0.003% *  0.0629% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 2.46, residual support = 28.7:
      O T HA    CYS   21 - HB3   CYS   21   2.45 +/- 0.13  99.998% * 99.6850% (0.63  10.0 10.00   2.46  28.66) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.52 +/- 1.71   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  17.67 +/- 1.41   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  19.09 +/- 1.27   0.000% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.51 +/- 1.70   0.000% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 2.65, residual support = 33.7:
      O   HD2   HIS   22 - HB2   HIS   22   3.59 +/- 0.35  68.499% * 87.0850% (0.74  10.0   2.49  34.50) =  93.760%  kept
          HN    THR   23 - HB2   HIS   22   4.14 +/- 0.57  31.439% * 12.6268% (0.42   1.0   5.09  21.39) =   6.240%  kept
          HD1   TRP   49 - HB2   HIS   22  15.30 +/- 3.53   0.036% *  0.0935% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  15.33 +/- 2.06   0.020% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.52 +/- 0.86   0.002% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.82 +/- 1.34   0.001% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  20.70 +/- 2.92   0.004% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 3.18, residual support = 34.1:
      O   HD2   HIS   22 - HB3   HIS   22   3.74 +/- 0.19  63.807% * 94.7729% (0.95  10.0   3.11  34.50) =  97.105%  kept
          HN    THR   23 - HB3   HIS   22   4.13 +/- 0.19  36.149% *  4.9867% (0.18   1.0   5.68  21.39) =   2.895%  kept
          HD1   TRP   49 - HB3   HIS   22  15.87 +/- 3.28   0.026% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  15.68 +/- 1.81   0.015% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  21.87 +/- 0.95   0.002% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.53 +/- 0.89   0.002% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.35, residual support = 21.4:
          QG2   THR   23 - HB3   HIS   22   3.51 +/- 0.32  99.469% * 96.0138% (0.34   3.35  21.39) =  99.992%  kept
          QG2   THR   77 - HB3   HIS   22   9.87 +/- 1.50   0.319% *  1.6666% (0.99   0.02   0.02) =   0.006%
          QB    ALA   88 - HB3   HIS   22  16.55 +/- 3.07   0.210% *  1.2210% (0.73   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB3   HIS   22  25.32 +/- 0.89   0.001% *  0.6311% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  25.30 +/- 1.16   0.001% *  0.4675% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.57 +/- 0.56  97.912% * 98.4516% (0.38   3.21  12.66) =  99.966%  kept
          QD    PHE   95 - HB    THR   46   7.64 +/- 1.10   2.088% *  1.5484% (0.95   0.02   0.02) =   0.034%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.15 +/- 0.39  99.468% * 99.6646% (0.87  10.0   3.25  34.51) =  99.999%  kept
          HN    LYS+  74 - HB    THR   46   8.82 +/- 1.12   0.246% *  0.1126% (0.98   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB    THR   46   9.28 +/- 1.09   0.275% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.38 +/- 1.86   0.012% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.42 +/- 2.38   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 0.0199, residual support = 0.0199:
          QG2   THR   77 - HB2   HIS   22   9.34 +/- 1.84  38.851% * 12.9434% (0.64  1.00   0.02   0.02) =  59.829%  kept
          HB3   LEU   80 - HB2   HIS   22   8.48 +/- 0.79  52.444% *  4.0306% (0.20  1.00   0.02   0.02) =  25.150%  kept
          QB    ALA   88 - HB2   HIS   22  16.12 +/- 2.97   6.380% * 16.1643% (0.80  1.00   0.02   0.02) =  12.271%  kept
          HB2   LEU   31 - HB2   HIS   22  15.65 +/- 0.70   1.718% *  6.0667% (0.30  1.00   0.02   0.02) =   1.240%  kept
        T HB2   LEU   63 - HB2   HIS   22  19.95 +/- 1.08   0.347% * 28.3087% (0.14 10.00   0.02   0.02) =   1.168%  kept
          HG2   LYS+  38 - HB2   HIS   22  25.30 +/- 0.88   0.089% * 13.5016% (0.67  1.00   0.02   0.02) =   0.143%
          HG2   LYS+  99 - HB2   HIS   22  25.15 +/- 1.38   0.098% * 11.7377% (0.58  1.00   0.02   0.02) =   0.137%
          HG2   LYS+ 111 - HB2   HIS   22  26.28 +/- 3.02   0.073% *  7.2470% (0.36  1.00   0.02   0.02) =   0.063%
    Distance limit 3.89 A violated in 20 structures by 3.67 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 14.6:
      O   HN    CYS   21 - HA    ALA   20   2.22 +/- 0.01  99.990% * 99.8294% (0.95  10.0   2.98  14.65) = 100.000%  kept
          HN    ILE   89 - HA    ALA   20  16.02 +/- 2.88   0.007% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ALA   20  13.99 +/- 0.46   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.95 +/- 1.35   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.96 +/- 0.64   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   7.91 +/- 0.73 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.16 A violated in 20 structures by 4.75 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   4.84 +/- 1.81  97.256% * 18.5628% (0.57   0.02   0.02) =  97.626%  kept
          HB3   PHE   45 - HA    HIS   22  10.20 +/- 1.83   2.220% * 13.7211% (0.42   0.02   0.02) =   1.647%  kept
          QG    GLN   32 - HA    HIS   22  15.61 +/- 1.10   0.374% * 27.4474% (0.85   0.02   0.02) =   0.555%  kept
          HB    VAL  107 - HA    HIS   22  18.74 +/- 1.49   0.088% * 26.5475% (0.82   0.02   0.02) =   0.126%
          QE    LYS+ 112 - HA    HIS   22  21.01 +/- 2.29   0.063% * 13.7211% (0.42   0.02   0.02) =   0.047%
    Distance limit 3.27 A violated in 15 structures by 1.71 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.355, support = 0.0197, residual support = 0.0197:
        T HB2   LEU   73 - HA    HIS   22   8.78 +/- 0.96  30.355% * 28.4146% (0.26 10.00   0.02   0.02) =  72.593%  kept
          HB    VAL   83 - HA    HIS   22   8.89 +/- 1.15  29.685% *  8.1833% (0.76  1.00   0.02   0.02) =  20.445%  kept
          HD2   LYS+  74 - HA    HIS   22   8.45 +/- 1.06  37.210% *  1.7898% (0.17  1.00   0.02   0.02) =   5.605%  kept
          HG3   PRO   93 - HA    HIS   22  17.20 +/- 1.37   0.558% *  8.5362% (0.79  1.00   0.02   0.02) =   0.401%
          HB3   MET   92 - HA    HIS   22  16.09 +/- 2.21   0.994% *  4.2014% (0.39  1.00   0.02   0.02) =   0.352%
          QD    LYS+  65 - HA    HIS   22  18.00 +/- 1.92   0.466% *  7.4210% (0.69  1.00   0.02   0.02) =   0.291%
          QD    LYS+ 102 - HA    HIS   22  21.85 +/- 2.34   0.134% *  9.8627% (0.91  1.00   0.02   0.02) =   0.111%
          QD    LYS+  38 - HA    HIS   22  22.99 +/- 0.78   0.090% *  9.4340% (0.87  1.00   0.02   0.02) =   0.071%
          QD    LYS+ 106 - HA    HIS   22  18.78 +/- 2.23   0.362% *  1.5768% (0.15  1.00   0.02   0.02) =   0.048%
          HB2   LYS+ 121 - HA    HIS   22  25.16 +/- 2.35   0.056% *  7.0200% (0.65  1.00   0.02   0.02) =   0.033%
          HB2   LEU  123 - HA    HIS   22  27.69 +/- 2.75   0.038% *  8.1833% (0.76  1.00   0.02   0.02) =   0.026%
          HD2   LYS+ 111 - HA    HIS   22  25.62 +/- 2.72   0.051% *  5.3768% (0.50  1.00   0.02   0.02) =   0.023%
    Distance limit 3.43 A violated in 20 structures by 3.65 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  10.48 +/- 0.23  98.206% * 67.5049% (0.39   0.02   0.02) =  99.128%  kept
          HN    LEU   40 - HA    HIS   22  20.60 +/- 0.89   1.794% * 32.4951% (0.19   0.02   0.02) =   0.872%  kept
    Distance limit 3.55 A violated in 20 structures by 6.89 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 = 5.1, residual support = 25.3:
      O   HN    VAL   24 - HA    THR   23   2.29 +/- 0.12 100.000% *100.0000% (0.64  10.0   5.10  25.32) = 100.000%  kept
    Distance limit 3.13 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   3.11 +/- 0.33 100.000% *100.0000% (0.49   5.39  25.32) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.72, residual support = 19.3:
          HN    THR   23 - QG2   THR   23   3.30 +/- 0.24  93.532% * 62.4572% (0.73   4.76  19.23) =  98.234%  kept
          HD2   HIS   22 - QG2   THR   23   5.92 +/- 0.33   2.936% * 35.7254% (0.76   2.59  21.39) =   1.764%  kept
          HD1   TRP   49 - QB    ALA   91   8.74 +/- 1.96   1.654% *  0.0341% (0.09   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   23   8.92 +/- 0.38   0.264% *  0.0805% (0.22   0.02   1.94) =   0.000%
          QE    PHE   95 - QB    ALA   91   8.34 +/- 1.63   0.735% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   39   9.70 +/- 0.84   0.194% *  0.0798% (0.22   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.48 +/- 2.07   0.014% *  0.3243% (0.90   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91   9.77 +/- 2.15   0.371% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39  10.39 +/- 0.83   0.109% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  15.17 +/- 1.07   0.011% *  0.2484% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  13.04 +/- 1.48   0.039% *  0.0553% (0.15   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.98 +/- 0.93   0.076% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.92 +/- 0.66   0.006% *  0.1234% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  20.20 +/- 0.57   0.002% *  0.3585% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  15.56 +/- 0.85   0.009% *  0.0615% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.62 +/- 0.91   0.009% *  0.0585% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  15.40 +/- 1.18   0.010% *  0.0291% (0.08   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.13 +/- 1.05   0.009% *  0.0276% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.18 +/- 1.81   0.002% *  0.1006% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.05 +/- 1.71   0.003% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.15 +/- 0.80   0.012% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.43 +/- 1.59   0.001% *  0.0722% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.56 +/- 1.09   0.002% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.16 +/- 1.33   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.74, residual support = 10.7:
          HB3   ASP-  86 - HA    VAL   83   2.92 +/- 0.88  99.865% * 91.0567% (0.34   1.74  10.73) =  99.996%  kept
          HG3   MET   96 - HA    VAL   83  12.43 +/- 2.64   0.110% *  3.0733% (1.00   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HA    VAL   83  14.93 +/- 2.20   0.023% *  0.6842% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.61 +/- 2.03   0.002% *  2.8370% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  24.98 +/- 1.14   0.001% *  2.3487% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.06 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   3.13 +/- 0.48  99.836% * 99.6258% (0.98 10.00   2.25  10.73) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  11.07 +/- 2.56   0.108% *  0.0912% (0.90  1.00   0.02   0.21) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.36 +/- 1.79   0.047% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.61 +/- 1.65   0.005% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.34 +/- 2.86   0.005% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  23.66 +/- 2.34   0.001% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 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   2.77 +/- 0.02  99.992% * 99.7575% (0.57  10.0   4.70  87.03) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.44 +/- 1.90   0.003% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  16.75 +/- 2.10   0.005% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.7:
          HN    ASP-  86 - HA    VAL   83   3.01 +/- 0.17  99.937% * 97.0739% (0.95   2.25  10.73) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.77 +/- 2.06   0.025% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  12.24 +/- 2.17   0.033% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  17.84 +/- 2.62   0.003% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  24.09 +/- 4.41   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  27.23 +/- 1.52   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.718, support = 0.02, residual support = 9.28:
          HD1   TRP   87 - HA    VAL   83   4.97 +/- 0.57  90.590% * 16.2579% (0.73   0.02   9.51) =  94.192%  kept
          HE3   TRP   87 - HA    VAL   83   7.71 +/- 0.49   6.888% *  6.2250% (0.28   0.02   9.51) =   2.742%  kept
          HN    TRP   27 - HA    VAL   83  10.19 +/- 1.46   1.815% * 21.1793% (0.95   0.02   2.70) =   2.458%  kept
          HN    ALA   91 - HA    VAL   83  12.18 +/- 1.29   0.586% * 14.4837% (0.65   0.02   0.02) =   0.542%  kept
          HN    THR   39 - HA    VAL   83  21.27 +/- 2.19   0.020% * 17.1105% (0.76   0.02   0.02) =   0.022%
          HN    LYS+ 102 - HA    VAL   83  18.46 +/- 2.71   0.056% *  4.4308% (0.20   0.02   0.02) =   0.016%
          HN    GLU-  36 - HA    VAL   83  20.13 +/- 2.48   0.030% *  7.6371% (0.34   0.02   0.02) =   0.015%
          HN    ALA   61 - HA    VAL   83  21.56 +/- 1.46   0.015% * 12.6757% (0.57   0.02   0.02) =   0.012%
    Distance limit 3.71 A violated in 15 structures by 1.19 A, eliminated.
    Peak unassigned.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.408, support = 2.29, residual support = 11.0:
          QD2   LEU   80 - HA    VAL   24   1.96 +/- 0.18  95.891% * 70.4213% (0.41   2.30  10.96) =  98.582%  kept
          QD1   LEU   80 - HA    VAL   24   3.79 +/- 0.57   4.058% * 23.9277% (0.22   1.44  10.96) =   1.418%  kept
          QD1   LEU   73 - HA    VAL   24   8.17 +/- 1.50   0.036% *  1.1928% (0.80   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    VAL   24   9.78 +/- 0.79   0.008% *  0.5591% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.63 +/- 1.26   0.006% *  0.3316% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  16.53 +/- 1.71   0.000% *  1.1928% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  17.62 +/- 1.85   0.000% *  1.3751% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.90 +/- 1.09   0.000% *  0.3316% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  20.21 +/- 2.18   0.000% *  0.6679% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 65.1:
      O T HB    VAL   24 - HA    VAL   24   2.67 +/- 0.31  99.962% * 98.9275% (1.00  10.0 10.00   3.97  65.14) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.30 +/- 0.33   0.037% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  25.45 +/- 0.97   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.30 +/- 1.49   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  21.60 +/- 2.56   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  25.39 +/- 0.98   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.1:
        T HB3   TRP   27 - HA    VAL   24   3.49 +/- 0.11  99.974% * 99.7179% (1.00 10.00   3.00  26.10) = 100.000%  kept
          QE    LYS+ 106 - HA    VAL   24  17.58 +/- 2.34   0.009% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    VAL   24  18.22 +/- 0.66   0.005% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  18.24 +/- 1.09   0.006% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  19.31 +/- 0.91   0.004% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  20.14 +/- 1.01   0.003% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.1:
      O   HN    VAL   24 - HA    VAL   24   2.80 +/- 0.02 100.000% *100.0000% (0.97  10.0   4.34  65.14) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.889, support = 5.63, residual support = 32.8:
      O   HN    GLU-  25 - HA    VAL   24   3.61 +/- 0.02  62.669% * 86.4292% (0.92  10.0   5.65  34.70) =  91.515%  kept
          HN    ASN   28 - HA    VAL   24   3.94 +/- 0.13  37.248% * 13.4822% (0.53   1.0   5.47  11.93) =   8.485%  kept
          HN    ASP-  44 - HA    VAL   24  11.02 +/- 0.75   0.084% *  0.0886% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.13, residual support = 26.1:
          HN    TRP   27 - HA    VAL   24   3.23 +/- 0.12  99.836% * 94.8095% (0.45   3.13  26.10) =  99.998%  kept
          HD1   TRP   87 - HA    VAL   24   9.85 +/- 0.94   0.141% *  1.3411% (0.99   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   24  16.26 +/- 0.35   0.006% *  1.1737% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  18.13 +/- 0.41   0.003% *  1.3263% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  18.63 +/- 1.69   0.003% *  0.9294% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.40 +/- 1.45   0.008% *  0.2370% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  20.37 +/- 0.97   0.002% *  0.1831% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.25, residual support = 65.1:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.990% * 98.9402% (0.98  10.0 10.00   3.25  65.14) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.32 +/- 0.49   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.34 +/- 0.39   0.004% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.56 +/- 1.27   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.42 +/- 2.86   0.001% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  23.76 +/- 0.88   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.95 +/- 1.59   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.35 +/- 2.74   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.99 +/- 0.82   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.49 +/- 1.41   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.64 +/- 2.15   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.97 +/- 2.14   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 65.1:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  99.996% * 99.6470% (1.00  10.0   3.24  65.14) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.33 +/- 1.07   0.003% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.56 +/- 1.27   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  23.03 +/- 2.27   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.95 +/- 1.59   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  22.85 +/- 0.85   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.90 +/- 2.85   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.65 +/- 2.43   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.817, support = 2.02, residual support = 8.41:
          QD2   LEU   80 - HB    VAL   24   3.24 +/- 0.80  62.744% * 61.7245% (0.80   2.30  10.96) =  75.201%  kept
          QG1   VAL   83 - HB    VAL   24   4.40 +/- 2.14  36.882% * 34.6258% (0.87   1.19   0.65) =  24.797%  kept
          QD1   LEU   73 - HB    VAL   24  10.25 +/- 1.62   0.108% *  0.2756% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   PRO   68  12.21 +/- 2.34   0.064% *  0.3827% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   PRO   68  11.26 +/- 1.02   0.102% *  0.1630% (0.24   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  10.86 +/- 1.26   0.051% *  0.1672% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.89 +/- 2.03   0.014% *  0.3030% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.40 +/- 0.97   0.025% *  0.1630% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  19.57 +/- 1.34   0.002% *  0.6469% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  18.31 +/- 1.91   0.003% *  0.2756% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  21.72 +/- 2.03   0.001% *  0.5123% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.67 +/- 0.74   0.002% *  0.3175% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  22.53 +/- 1.15   0.001% *  0.3440% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  21.15 +/- 0.87   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.886, support = 3.99, residual support = 64.8:
      O T HA    VAL   24 - HB    VAL   24   2.67 +/- 0.31  89.741% * 89.0301% (0.90  10.0 10.00   3.97  65.14) =  98.697%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.11  10.255% * 10.2842% (0.10  10.0  1.00   5.47  35.27) =   1.303%  kept
          HA    LYS+  38 - HB2   PRO   68  15.84 +/- 1.23   0.003% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  25.45 +/- 0.97   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.71 +/- 0.67   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.90 +/- 1.56   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 65.1:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  99.989% * 98.6521% (0.92  10.0 10.00   3.25  65.14) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.96 +/- 0.61   0.010% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  23.76 +/- 0.88   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  19.08 +/- 1.48   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.74 +/- 2.22   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.97 +/- 1.40   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  22.96 +/- 1.18   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  26.71 +/- 1.73   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.346, support = 5.81, residual support = 32.6:
      O   HN    ASN   69 - HB2   PRO   68   3.40 +/- 0.58  49.802% * 44.6153% (0.20  10.0   5.85  31.44) =  56.880%  kept
          HN    GLU-  25 - HB    VAL   24   3.39 +/- 0.67  47.951% * 34.1679% (0.53   1.0   5.87  34.70) =  41.942%  kept
          HN    ASN   28 - HB    VAL   24   5.76 +/- 0.21   2.216% * 20.7526% (0.92   1.0   2.03  11.93) =   1.177%  kept
          HN    ASP-  44 - HB    VAL   24  13.17 +/- 1.34   0.026% *  0.1252% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.18 +/- 0.73   0.003% *  0.0741% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  23.64 +/- 0.97   0.001% *  0.1207% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  25.41 +/- 1.08   0.000% *  0.0754% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  27.36 +/- 1.11   0.000% *  0.0688% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.1:
      O   HN    VAL   24 - HB    VAL   24   2.46 +/- 0.20 100.000% * 99.9409% (0.38  10.0   4.68  65.14) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  27.35 +/- 1.00   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.1:
          HN    VAL   24 - QG1   VAL   24   2.05 +/- 0.28 100.000% *100.0000% (0.73   4.09  65.14) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.02, residual support = 127.0:
      O   HN    GLU-  25 - HB2   GLU-  25   2.74 +/- 0.45  97.633% * 99.5455% (0.41  10.0   6.02 126.99) =  99.994%  kept
          HN    ASN   28 - HB2   GLU-  25   5.51 +/- 0.21   2.363% *  0.2373% (0.98   1.0   0.02   2.79) =   0.006%
          HN    ASP-  44 - HB2   GLU-  25  15.54 +/- 0.56   0.004% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.97 +/- 0.70   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.87, residual support = 127.0:
      O   HN    GLU-  25 - HB3   GLU-  25   2.68 +/- 0.72  96.987% * 99.5455% (0.41  10.0   5.88 126.99) =  99.993%  kept
          HN    ASN   28 - HB3   GLU-  25   5.59 +/- 0.20   3.008% *  0.2373% (0.98   1.0   0.02   2.79) =   0.007%
          HN    ASP-  44 - HB3   GLU-  25  15.83 +/- 0.59   0.005% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  25.34 +/- 0.85   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 28.1:
          HN    THR   26 - HB3   GLU-  25   3.22 +/- 0.20  99.998% * 98.7463% (0.34   5.26  28.06) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  19.49 +/- 1.21   0.002% *  0.8408% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.60 +/- 1.17   0.000% *  0.4129% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.96, residual support = 2.95:
          HN    SER   85 - HA    SER   82   3.44 +/- 0.18  98.436% * 92.1173% (0.26   2.96   2.96) =  99.983%  kept
          HN    GLN   32 - HA    GLU-  25   8.55 +/- 0.28   0.447% *  2.4019% (1.00   0.02   0.02) =   0.012%
          HN    LEU   80 - HA    SER   82   7.82 +/- 0.41   0.837% *  0.2401% (0.10   0.02   0.02) =   0.002%
          HN    LEU   80 - HA    GLU-  25  10.04 +/- 0.85   0.190% *  0.7413% (0.31   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    GLU-  25  12.19 +/- 0.35   0.053% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  13.81 +/- 0.45   0.025% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  18.11 +/- 1.41   0.005% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.88 +/- 1.11   0.002% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.58 +/- 1.29   0.003% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.90 +/- 1.61   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.447, support = 5.69, residual support = 119.2:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.02  84.161% * 73.4978% (0.41  10.0   5.88 126.99) =  93.723%  kept
          HN    ASN   28 - HA    GLU-  25   3.61 +/- 0.17  15.808% * 26.2094% (0.98   1.0   2.99   2.79) =   6.277%  kept
          HN    ASN   28 - HA    SER   82  12.77 +/- 1.11   0.009% *  0.0568% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  11.41 +/- 0.66   0.016% *  0.0238% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  14.72 +/- 0.59   0.003% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.49 +/- 0.68   0.003% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  24.37 +/- 0.70   0.000% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.39 +/- 0.69   0.000% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.312, support = 4.2, residual support = 8.7:
          HN    ALA   84 - HA    SER   82   4.04 +/- 0.12  64.495% * 54.7187% (0.20   5.35  11.01) =  71.936%  kept
          HD21  ASN   28 - HA    GLU-  25   4.49 +/- 0.08  34.358% * 40.0634% (0.61   1.27   2.79) =  28.058%  kept
          HZ2   TRP   87 - HA    GLU-  25  11.58 +/- 3.19   0.214% *  0.4282% (0.41   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    SER   82  10.49 +/- 1.77   0.305% *  0.2046% (0.20   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    GLU-  25  12.09 +/- 0.59   0.096% *  0.6317% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  10.38 +/- 0.70   0.246% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82  10.13 +/- 0.44   0.274% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  25.10 +/- 0.65   0.001% *  1.0324% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.70 +/- 1.21   0.001% *  0.9853% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  22.90 +/- 1.22   0.002% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  22.91 +/- 2.08   0.002% *  0.2046% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  28.15 +/- 1.84   0.001% *  0.6317% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.67 +/- 0.94   0.001% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  20.96 +/- 1.69   0.004% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 2.79:
          HB2   ASN   28 - HA    GLU-  25   3.45 +/- 0.26  97.768% * 86.9739% (0.99   0.75   2.79) =  99.983%  kept
          HB2   ASP-  86 - HA    SER   82   7.05 +/- 0.57   1.712% *  0.5504% (0.24   0.02   0.02) =   0.011%
          QE    LYS+  33 - HA    GLU-  25  11.47 +/- 1.78   0.119% *  2.3348% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  12.93 +/- 1.81   0.048% *  1.6992% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    SER   82  11.49 +/- 0.96   0.106% *  0.4598% (0.20   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    GLU-  25  12.28 +/- 0.89   0.058% *  0.4631% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  13.87 +/- 0.80   0.027% *  0.8782% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  15.07 +/- 0.92   0.017% *  1.4193% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  13.99 +/- 1.33   0.029% *  0.7513% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.36 +/- 1.07   0.110% *  0.1500% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.65 +/- 2.13   0.001% *  2.1601% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.68 +/- 1.33   0.002% *  0.7563% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  22.36 +/- 1.77   0.002% *  0.2845% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  25.98 +/- 2.50   0.001% *  0.6997% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.34 +/- 1.06   0.001% *  0.3167% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  30.47 +/- 1.02   0.000% *  0.1026% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.79, residual support = 11.0:
          QB    ALA   84 - HA    SER   82   4.32 +/- 0.13  89.547% * 79.0359% (0.32   2.80  11.01) =  99.932%  kept
          HB3   LEU   80 - HA    SER   82   6.89 +/- 0.67   6.610% *  0.2777% (0.16   0.02   0.02) =   0.026%
          HB3   LEU   80 - HA    GLU-  25   8.99 +/- 0.90   1.397% *  0.8572% (0.49   0.02   0.02) =   0.017%
          HB2   LEU   31 - HA    GLU-  25   8.70 +/- 0.26   1.381% *  0.6007% (0.34   0.02   0.02) =   0.012%
          QB    ALA   84 - HA    GLU-  25  11.67 +/- 0.85   0.253% *  1.7456% (0.99   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    GLU-  25  11.84 +/- 1.31   0.246% *  0.7240% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    GLU-  25  11.96 +/- 1.70   0.292% *  0.4897% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    GLU-  25  16.47 +/- 1.17   0.033% *  1.6660% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  17.90 +/- 0.73   0.018% *  1.2789% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  16.93 +/- 1.00   0.027% *  0.4143% (0.24   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  25  17.95 +/- 0.60   0.018% *  0.6007% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  18.46 +/- 2.27   0.020% *  0.5397% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.19 +/- 1.16   0.018% *  0.5692% (0.32   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  15.99 +/- 0.78   0.037% *  0.2345% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  22.92 +/- 1.07   0.004% *  1.7572% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  16.40 +/- 1.70   0.036% *  0.1946% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.95 +/- 1.38   0.006% *  1.1393% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.18 +/- 1.76   0.007% *  0.7896% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  19.87 +/- 2.61   0.012% *  0.3691% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  24.10 +/- 1.08   0.003% *  1.0682% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  28.92 +/- 3.37   0.001% *  1.5277% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.71 +/- 0.73   0.008% *  0.1946% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  25.71 +/- 1.86   0.002% *  0.6007% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  23.60 +/- 2.92   0.005% *  0.2558% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  24.52 +/- 1.17   0.003% *  0.3460% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  21.80 +/- 1.54   0.006% *  0.1586% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  24.14 +/- 2.89   0.004% *  0.1586% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  32.10 +/- 2.11   0.001% *  0.9266% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.11 +/- 2.48   0.001% *  0.4897% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.55 +/- 2.14   0.002% *  0.3002% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  30.21 +/- 2.69   0.001% *  0.4949% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.35 +/- 2.15   0.001% *  0.1946% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 4 structures by 0.82 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.543, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    SER   82  15.56 +/- 2.71  53.201% *  7.4304% (0.30   0.02   0.02) =  40.824%  kept
          QG2   VAL  108 - HA    GLU-  25  19.65 +/- 1.76  12.151% * 22.9376% (0.92   0.02   0.02) =  28.784%  kept
          HB2   LEU  104 - HA    GLU-  25  22.74 +/- 0.67   5.470% * 19.8967% (0.80   0.02   0.02) =  11.241%  kept
          QD1   ILE  119 - HA    GLU-  25  22.77 +/- 2.23   5.756% * 12.0948% (0.49   0.02   0.02) =   7.189%  kept
          QD1   ILE  119 - HA    SER   82  21.73 +/- 1.85   7.300% *  3.9180% (0.16   0.02   0.02) =   2.954%  kept
          HB2   LEU  104 - HA    SER   82  23.56 +/- 1.75   4.390% *  6.4453% (0.26   0.02   0.02) =   2.922%  kept
          HG    LEU   63 - HA    GLU-  25  24.12 +/- 2.08   4.413% *  5.5320% (0.22   0.02   0.02) =   2.521%  kept
          HG3   LYS+ 112 - HA    GLU-  25  31.51 +/- 2.41   0.984% * 15.0711% (0.61   0.02   0.02) =   1.532%  kept
          HG3   LYS+ 112 - HA    SER   82  26.93 +/- 2.34   2.695% *  4.8821% (0.20   0.02   0.02) =   1.359%  kept
          HG    LEU   63 - HA    SER   82  24.77 +/- 1.98   3.640% *  1.7920% (0.07   0.02   0.02) =   0.674%  kept
    Distance limit 3.87 A violated in 20 structures by 9.81 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.24, support = 1.61, residual support = 6.99:
          HB2   GLU-  29 - HA    THR   26   2.23 +/- 0.36  95.712% * 13.8032% (0.22   0.97   1.51) =  79.365%  kept
          HB2   GLU-  25 - HA    THR   26   4.24 +/- 0.44   4.278% * 80.2813% (0.31   4.07  28.06) =  20.634%  kept
          HB3   ASP-  76 - HA    THR   26  12.37 +/- 0.81   0.006% *  1.1451% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.51 +/- 0.83   0.001% *  1.1451% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.93 +/- 1.68   0.002% *  0.5249% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.42 +/- 1.64   0.000% *  1.2078% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.35 +/- 0.77   0.000% *  0.6215% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.14 +/- 1.66   0.000% *  0.8771% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  23.91 +/- 2.03   0.000% *  0.3941% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.52, residual support = 35.3:
      O   HN    THR   26 - HA    THR   26   2.83 +/- 0.02  99.995% * 99.6670% (0.34  10.0   4.52  35.33) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.17 +/- 1.00   0.005% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.38 +/- 1.09   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 1.3, residual support = 3.42:
          HN    GLN   30 - HA    THR   26   4.12 +/- 0.34  21.554% * 78.9334% (0.69   1.54   4.84) =  57.370%  kept
          HN    GLU-  29 - HA    THR   26   3.24 +/- 0.18  78.433% * 16.1183% (0.22   0.97   1.51) =  42.629%  kept
          HN    ASP-  86 - HA    THR   26  15.77 +/- 0.36   0.006% *  0.9043% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   26  17.57 +/- 1.65   0.004% *  1.4614% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.33 +/- 1.50   0.003% *  1.2454% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  23.94 +/- 4.62   0.001% *  1.3371% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 2.23, residual support = 14.0:
          HN    THR   23 - HB    THR   26   3.56 +/- 0.28  97.334% * 68.5600% (0.38   2.25  14.12) =  98.946%  kept
          HD2   HIS   22 - HB    THR   26   7.05 +/- 1.14   2.639% * 26.9204% (0.99   0.33   0.02) =   1.053%  kept
          HD21  ASN   35 - HB    THR   26  16.20 +/- 0.61   0.012% *  1.1154% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  20.84 +/- 2.32   0.004% *  1.6094% (0.99   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.15 +/- 1.31   0.009% *  0.5539% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  21.39 +/- 0.86   0.002% *  1.2409% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.41, residual support = 22.1:
          HN    TRP   27 - HB    THR   26   3.30 +/- 0.24  99.958% * 98.0666% (0.84   4.41  22.06) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  14.53 +/- 0.60   0.014% *  0.4617% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.18 +/- 0.40   0.011% *  0.2591% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  17.36 +/- 0.61   0.005% *  0.4773% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  20.59 +/- 1.57   0.002% *  0.2591% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  17.16 +/- 0.98   0.005% *  0.0932% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  20.30 +/- 1.14   0.002% *  0.2188% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  20.81 +/- 1.87   0.002% *  0.1643% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.3:
      O   HN    THR   26 - HB    THR   26   2.02 +/- 0.11 100.000% * 99.9615% (0.80  10.0   4.16  35.33) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  16.23 +/- 0.97   0.000% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.185, support = 0.746, residual support = 2.7:
          HA    CYS   21 - QG2   THR   26   2.22 +/- 0.36  99.537% * 23.7344% (0.18   0.75   2.74) =  98.625%  kept
          HA    ALA   20 - QG2   THR   26   5.64 +/- 0.39   0.444% * 74.0877% (0.87   0.47   0.02) =   1.375%  kept
          HA    LEU   71 - QG2   THR   26  10.57 +/- 0.81   0.017% *  0.5576% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  16.53 +/- 1.47   0.001% *  1.6203% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.79 +/- 1.42  64.424% * 18.7520% (0.92   0.02   0.02) =  75.451%  kept
          HB2   PRO   93 - QG2   THR   26  16.31 +/- 1.23   9.915% * 12.3210% (0.61   0.02   0.02) =   7.630%  kept
          HG3   PRO   52 - QG2   THR   26  19.36 +/- 2.32   4.672% * 17.6208% (0.87   0.02   0.02) =   5.142%  kept
          HG2   MET   11 - QG2   THR   26  19.64 +/- 1.69   3.657% * 19.2160% (0.95   0.02   0.02) =   4.388%  kept
          HG2   PRO   58 - QG2   THR   26  20.06 +/- 1.15   2.873% * 17.6208% (0.87   0.02   0.02) =   3.161%  kept
          HB    VAL  108 - QG2   THR   26  18.37 +/- 1.37   5.189% *  5.0653% (0.25   0.02   0.02) =   1.641%  kept
          HB2   ARG+  54 - QG2   THR   26  19.48 +/- 2.03   3.941% *  6.2698% (0.31   0.02   0.02) =   1.543%  kept
          HB2   PRO   68 - QG2   THR   26  18.14 +/- 1.23   5.330% *  3.1343% (0.15   0.02   0.02) =   1.043%  kept
    Distance limit 3.38 A violated in 20 structures by 7.49 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 = 4.84:
        T HG2   GLN   30 - QG2   THR   26   3.00 +/- 0.62  99.133% * 99.5048% (0.99 10.00   0.75   4.84) =  99.998%  kept
          HB3   ASN   28 - QG2   THR   26   7.36 +/- 0.13   0.859% *  0.2584% (0.97  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QG2   THR   26  19.58 +/- 2.46   0.004% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  19.67 +/- 3.02   0.004% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.809, support = 3.41, residual support = 11.8:
          QD2   LEU   80 - HB3   TRP   27   2.66 +/- 0.60  88.927% * 67.0327% (0.80   3.50  11.95) =  95.771%  kept
          QD1   LEU   73 - HB3   TRP   27   5.51 +/- 1.56   8.359% * 31.4634% (1.00   1.31   8.66) =   4.225%  kept
          QG1   VAL   83 - HB3   TRP   27   5.51 +/- 2.24   2.698% *  0.0838% (0.18   0.02   2.70) =   0.004%
          QD1   LEU   63 - HB3   TRP   27  13.94 +/- 1.68   0.007% *  0.4785% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  14.91 +/- 1.85   0.005% *  0.2709% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.75 +/- 1.04   0.003% *  0.2709% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  17.98 +/- 2.28   0.001% *  0.3997% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 26.1:
        T HA    VAL   24 - HB3   TRP   27   3.49 +/- 0.11  99.440% * 98.5200% (0.76 10.00   3.00  26.10) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  16.52 +/- 0.57   0.009% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   8.85 +/- 1.73   0.541% *  0.0174% (0.14  1.00   0.02   2.70) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  16.61 +/- 1.49   0.010% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.1:
          HA    VAL   24 - HB2   TRP   27   2.04 +/- 0.12  99.999% * 99.1878% (0.97   3.00  26.10) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  17.03 +/- 0.50   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  18.12 +/- 1.14   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  21.56 +/- 1.33   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 3.41, residual support = 11.9:
          QD2   LEU   80 - HB2   TRP   27   2.44 +/- 0.41  93.877% * 66.2102% (0.98   3.44  11.95) =  98.645%  kept
          QG1   VAL   83 - HB2   TRP   27   4.95 +/- 2.34   4.305% * 10.5633% (0.38   1.43   2.70) =   0.722%  kept
          QD1   LEU   73 - HB2   TRP   27   6.55 +/- 1.57   1.811% * 22.0365% (0.90   1.25   8.66) =   0.633%  kept
          QD1   LEU   63 - HB2   TRP   27  15.33 +/- 1.69   0.003% *  0.3520% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.64 +/- 1.02   0.002% *  0.3278% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.30 +/- 2.23   0.001% *  0.3890% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  16.28 +/- 1.86   0.002% *  0.1211% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.02, residual support = 17.6:
          QD1   LEU   31 - HA    ASN   28   3.23 +/- 0.63 100.000% *100.0000% (0.76   3.02  17.65) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 4.94, residual support = 92.2:
      O T HA    GLU-  29 - HG3   GLU-  29   3.40 +/- 0.15  99.651% * 97.0747% (0.22  10.0 10.00   4.94  92.20) =  99.995%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.38 +/- 0.80   0.298% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HB2   SER   37 - HG3   GLU-  29  15.48 +/- 1.12   0.015% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.55 +/- 1.42   0.006% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.59 +/- 1.44   0.012% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  15.42 +/- 1.88   0.015% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.81 +/- 1.68   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.88 +/- 2.81   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 98.3:
      O   HD1   TRP   27 - HB2   TRP   27   2.61 +/- 0.01  99.656% * 99.7286% (0.98  10.0   3.66  98.32) = 100.000%  kept
          HE21  GLN   30 - HB2   TRP   27   7.92 +/- 1.46   0.343% *  0.0939% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   TRP   27  19.61 +/- 1.61   0.001% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  22.21 +/- 2.32   0.000% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 98.3:
      O   HN    TRP   27 - HB2   TRP   27   2.07 +/- 0.06  99.985% * 99.5184% (0.76  10.0   5.23  98.32) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   9.90 +/- 1.03   0.010% *  0.1202% (0.92   1.0   0.02   6.06) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.67 +/- 0.30   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  16.29 +/- 0.38   0.000% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  12.52 +/- 1.50   0.003% *  0.0176% (0.14   1.0   0.02   6.06) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.57 +/- 1.27   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.29 +/- 1.75   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  19.06 +/- 0.95   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.919, support = 5.27, residual support = 46.6:
          HN    ASN   28 - HB2   TRP   27   3.00 +/- 0.18  93.177% * 93.6567% (0.92   5.30  46.86) =  99.543%  kept
          HN    GLU-  25 - HB2   TRP   27   4.69 +/- 0.11   6.717% *  5.9694% (0.15   2.02   0.38) =   0.457%
          HN    ASP-  44 - HB2   TRP   27   9.66 +/- 0.69   0.105% *  0.0671% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  21.00 +/- 0.80   0.001% *  0.3067% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.768, support = 4.34, residual support = 96.5:
      O   HE3   TRP   27 - HB3   TRP   27   3.02 +/- 0.12  88.702% * 85.9457% (0.76  10.0   4.38  98.32) =  98.103%  kept
          HN    THR   23 - HB3   TRP   27   4.53 +/- 0.55  10.751% * 13.7083% (0.98   1.0   2.49   1.94) =   1.896%  kept
          HD2   HIS   22 - HB3   TRP   27   7.26 +/- 0.54   0.527% *  0.0250% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  13.17 +/- 0.96   0.015% *  0.1115% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.84 +/- 1.06   0.002% *  0.0773% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  17.92 +/- 2.09   0.003% *  0.0384% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.05 +/- 1.54   0.001% *  0.0939% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 98.3:
      O   HD1   TRP   27 - HB3   TRP   27   3.57 +/- 0.07  92.962% * 99.7286% (0.98  10.0   4.09  98.32) =  99.993%  kept
          HE21  GLN   30 - HB3   TRP   27   6.86 +/- 1.57   7.029% *  0.0939% (0.92   1.0   0.02   0.02) =   0.007%
          QD    PHE   59 - HB3   TRP   27  18.13 +/- 1.64   0.007% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  21.25 +/- 2.29   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 98.3:
      O   HN    TRP   27 - HB3   TRP   27   2.99 +/- 0.13  99.829% * 99.5184% (0.76  10.0   5.52  98.32) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27   9.44 +/- 1.06   0.118% *  0.1202% (0.92   1.0   0.02   6.06) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.60 +/- 0.51   0.005% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.54 +/- 0.36   0.008% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  12.12 +/- 1.46   0.027% *  0.0176% (0.14   1.0   0.02   6.06) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.79 +/- 1.14   0.006% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  16.67 +/- 1.75   0.004% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  17.38 +/- 0.91   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 46.9:
          HN    ASN   28 - HB3   TRP   27   4.17 +/- 0.09  99.990% * 99.4715% (0.65   5.77  46.86) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  19.59 +/- 0.89   0.010% *  0.5285% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.72, residual support = 17.6:
          HN    LEU   31 - HA    ASN   28   3.18 +/- 0.08  99.944% * 95.3088% (0.22   3.72  17.65) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.76 +/- 0.29   0.024% *  2.2542% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.22 +/- 0.22   0.031% *  0.4028% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.65 +/- 1.47   0.000% *  1.3949% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.59 +/- 0.77   0.001% *  0.6394% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 4.53, residual support = 8.35:
          HN    GLN   30 - HA    ASN   28   3.65 +/- 0.07  99.427% * 93.5344% (0.18   4.53   8.35) =  99.996%  kept
          HN    ASN   35 - HA    ASN   28   8.87 +/- 0.31   0.503% *  0.5255% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  13.47 +/- 1.53   0.061% *  2.1788% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  21.54 +/- 5.58   0.005% *  2.0474% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  20.15 +/- 1.78   0.004% *  1.7139% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.16, residual support = 93.3:
      O   HN    ASN   28 - HB2   ASN   28   2.71 +/- 0.16  99.980% * 99.7686% (0.65  10.0   6.16  93.29) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.74 +/- 0.97   0.018% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.57 +/- 0.98   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  22.22 +/- 0.74   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.59, residual support = 93.3:
      O   HD22  ASN   28 - HB3   ASN   28   3.09 +/- 0.27  99.995% * 99.9746% (0.98  10.0   3.59  93.29) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.84 +/- 0.73   0.005% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.42, residual support = 93.3:
      O   HD21  ASN   28 - HB3   ASN   28   3.86 +/- 0.09  98.540% * 99.7595% (0.87  10.0   3.42  93.29) =  99.998%  kept
          HZ2   TRP   87 - HB3   ASN   28   9.44 +/- 4.69   1.443% *  0.1127% (0.98   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HB3   ASN   28  16.99 +/- 1.00   0.014% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.90 +/- 0.75   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.59 +/- 1.05   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 5.38, residual support = 29.5:
          HN    GLU-  29 - HB3   ASN   28   3.65 +/- 0.18  87.374% * 47.8377% (0.45   5.75  32.79) =  86.713%  kept
          HN    GLN   30 - HB3   ASN   28   5.06 +/- 0.09  12.534% * 51.0931% (0.92   2.98   8.35) =  13.286%  kept
          HN    ASP-  86 - HB3   ASN   28  12.85 +/- 2.18   0.065% *  0.3219% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  15.04 +/- 1.61   0.023% *  0.2101% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  21.71 +/- 1.96   0.002% *  0.2971% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  23.76 +/- 5.62   0.002% *  0.2401% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.06, residual support = 93.3:
      O   HN    ASN   28 - HB3   ASN   28   3.53 +/- 0.02  98.345% * 99.8777% (0.92  10.0   6.06  93.29) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.02 +/- 0.19   1.621% *  0.0167% (0.15   1.0   0.02   2.79) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.66 +/- 0.81   0.032% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  22.01 +/- 0.80   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 8.21:
          HN    GLN   30 - HB2   ASN   28   4.47 +/- 0.05  97.287% *  7.8959% (0.38   0.02   8.35) =  98.344%  kept
          HN    LYS+  99 - HB2   ASN   35  10.98 +/- 1.87   1.018% *  6.5298% (0.31   0.02   0.02) =   0.851%  kept
          HN    GLN   30 - HB2   ASN   35   9.35 +/- 0.94   1.407% *  2.4562% (0.12   0.02   0.02) =   0.443%
          HN    LYS+  99 - HB2   ASN   28  16.23 +/- 1.55   0.055% * 20.9915% (1.00   0.02   0.02) =   0.148%
          HN    ASP-  86 - HB2   ASN   28  13.50 +/- 1.62   0.154% *  6.4934% (0.31   0.02   0.02) =   0.128%
          HN    GLU-  14 - HB2   ASN   28  21.06 +/- 1.89   0.011% * 19.9013% (0.95   0.02   0.02) =   0.028%
          HE1   HIS  122 - HB2   ASN   35  21.49 +/- 6.94   0.023% *  6.5298% (0.31   0.02   0.02) =   0.019%
          HN    GLU-  14 - HB2   ASN   35  19.25 +/- 2.50   0.023% *  6.1907% (0.29   0.02   0.02) =   0.018%
          HE1   HIS  122 - HB2   ASN   28  24.29 +/- 5.30   0.006% * 20.9915% (1.00   0.02   0.02) =   0.017%
          HN    ASP-  86 - HB2   ASN   35  19.90 +/- 2.21   0.015% *  2.0199% (0.10   0.02   0.02) =   0.004%
    Distance limit 3.15 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 = 3.59, residual support = 93.3:
      O   HD21  ASN   28 - HB2   ASN   28   4.01 +/- 0.35  98.926% * 99.5979% (0.61  10.0   3.59  93.29) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28  10.33 +/- 4.11   0.848% *  0.1315% (0.80   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  12.85 +/- 1.08   0.112% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  14.82 +/- 4.85   0.084% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.95 +/- 0.98   0.019% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  18.78 +/- 1.58   0.011% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.41, residual support = 19.5:
      O   HN    GLN   30 - HA    GLU-  29   3.48 +/- 0.01  96.843% * 98.9280% (0.49  10.0   5.41  19.50) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.15   1.987% *  0.0222% (0.11   1.0   0.02   1.63) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.54 +/- 0.33   0.988% *  0.0271% (0.13   1.0   0.02   0.28) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.60 +/- 1.65   0.073% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.95 +/- 1.58   0.014% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.87 +/- 2.47   0.030% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.97 +/- 1.48   0.029% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.33 +/- 2.16   0.006% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.69 +/- 1.28   0.009% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  23.88 +/- 5.47   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.97 +/- 2.29   0.005% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  21.73 +/- 6.08   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  22.39 +/- 6.35   0.003% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.19 +/- 2.12   0.006% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.25 +/- 1.31   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.441, support = 5.29, residual support = 87.8:
      O   HN    GLU-  29 - HB2   GLU-  29   2.26 +/- 0.30  90.974% * 60.3339% (0.41  10.0   5.25  92.20) =  93.941%  kept
          HN    GLN   30 - HB2   GLU-  29   3.38 +/- 0.17   9.024% * 39.2311% (0.90   1.0   5.96  19.50) =   6.059%  kept
          HN    ASP-  86 - HB2   GLU-  29  16.46 +/- 0.75   0.001% *  0.1226% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   GLU-  29  17.54 +/- 2.07   0.001% *  0.1226% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.53 +/- 1.47   0.001% *  0.0890% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  24.07 +/- 4.97   0.000% *  0.1008% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.513, support = 4.82, residual support = 77.0:
      O   HN    GLU-  29 - HB3   GLU-  29   3.40 +/- 0.26  65.106% * 66.2306% (0.41  10.0   4.89  92.20) =  79.059%  kept
          HN    GLN   30 - HB3   GLU-  29   3.80 +/- 0.20  34.529% * 33.0787% (0.90   1.0   4.58  19.50) =  20.941%  kept
          HN    GLN   30 - QB    GLU-  36   9.13 +/- 0.32   0.188% *  0.0448% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.25 +/- 0.42   0.094% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.97 +/- 2.62   0.036% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  16.66 +/- 2.19   0.008% *  0.1346% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.21 +/- 1.35   0.025% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  17.74 +/- 0.67   0.003% *  0.1346% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.45 +/- 1.47   0.005% *  0.0977% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  20.55 +/- 5.58   0.003% *  0.0343% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  24.10 +/- 5.05   0.001% *  0.1107% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  21.07 +/- 1.34   0.001% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.91, support = 4.3, residual support = 91.7:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.87 +/- 0.10  31.252% * 95.1378% (0.99  10.0 10.00   4.30  92.20) =  91.492%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.51 +/- 0.05  68.702% *  4.0244% (0.04  10.0 10.00   4.30  86.75) =   8.508%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.19 +/- 0.65   0.032% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.00 +/- 0.94   0.011% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.57 +/- 1.48   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.36 +/- 0.79   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.17 +/- 1.03   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.49 +/- 2.24   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.50 +/- 1.06   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.82 +/- 0.81   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.28 +/- 0.46   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  27.68 +/- 2.44   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.58 +/- 0.76   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  24.25 +/- 0.88   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  26.73 +/- 2.47   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.60 +/- 0.90   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.28, residual support = 0.28:
          QD    LYS+  33 - HA    GLN   30   3.93 +/- 1.03  99.838% * 81.1321% (0.95   0.28   0.28) =  99.995%  kept
          HD2   LYS+  74 - HA    GLN   30  13.35 +/- 0.79   0.137% *  2.3026% (0.38   0.02   0.02) =   0.004%
          QB    ALA   57 - HA    GLN   30  19.00 +/- 1.37   0.019% *  4.2142% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  27.02 +/- 4.25   0.003% *  5.8035% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  29.42 +/- 2.60   0.001% *  4.4550% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  26.48 +/- 2.67   0.002% *  2.0927% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 5 structures by 0.53 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 = 0.186, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   6.85 +/- 2.48  96.734% *  8.2693% (0.15   0.02   0.02) =  92.224%  kept
          QD2   LEU  123 - HA    GLN   30  22.29 +/- 3.47   0.580% * 48.0646% (0.90   0.02   0.02) =   3.216%  kept
          HB3   LEU  104 - HA    GLN   30  18.87 +/- 1.16   1.107% * 22.0331% (0.41   0.02   0.02) =   2.811%  kept
          QD1   LEU  123 - HA    GLN   30  20.49 +/- 3.32   1.165% *  8.2693% (0.15   0.02   0.02) =   1.111%  kept
          HG3   LYS+ 121 - HA    GLN   30  24.43 +/- 3.96   0.414% * 13.3638% (0.25   0.02   0.02) =   0.638%  kept
    Distance limit 3.90 A violated in 15 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.22, residual support = 157.1:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  97.612% * 99.6773% (0.98  10.0   6.22 157.06) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.27 +/- 0.02   2.367% *  0.0576% (0.57   1.0   0.02  19.50) =   0.001%
          HN    GLU-  14 - HA    GLN   30  14.37 +/- 1.89   0.009% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  13.96 +/- 1.39   0.008% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.26 +/- 0.87   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  20.13 +/- 5.36   0.002% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.32, residual support = 157.1:
      O   HN    GLN   30 - HB2   GLN   30   3.41 +/- 0.31  97.121% * 99.6773% (0.98  10.0   6.32 157.06) =  99.998%  kept
          HN    GLU-  29 - HB2   GLN   30   6.17 +/- 0.37   2.781% *  0.0576% (0.57   1.0   0.02  19.50) =   0.002%
          HN    LYS+  99 - HB2   GLN   30  12.60 +/- 1.18   0.051% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   GLN   30  14.65 +/- 1.65   0.023% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  15.72 +/- 0.95   0.012% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  18.17 +/- 5.27   0.011% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.68, residual support = 157.1:
      O   HN    GLN   30 - HB3   GLN   30   2.38 +/- 0.33  98.813% * 99.4549% (0.65  10.0   6.68 157.06) = 100.000%  kept
          HN    GLU-  29 - HB3   GLN   30   5.00 +/- 0.37   1.175% *  0.0304% (0.20   1.0   0.02  19.50) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.10 +/- 1.34   0.006% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  15.83 +/- 1.76   0.002% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  14.68 +/- 1.07   0.002% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  18.98 +/- 5.36   0.001% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 7.12, residual support = 155.9:
          HN    GLN   30 - HG2   GLN   30   3.08 +/- 0.53  95.725% * 82.6321% (0.65   7.14 157.06) =  99.147%  kept
          HN    GLU-  29 - HG2   GLN   30   5.20 +/- 0.66   4.209% * 16.1699% (0.20   4.57  19.50) =   0.853%  kept
          HN    LYS+  99 - HG2   GLN   30  14.86 +/- 1.79   0.035% *  0.3104% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG2   GLN   30  14.97 +/- 1.70   0.015% *  0.3547% (0.99   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  19.77 +/- 5.17   0.009% *  0.3303% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  15.40 +/- 1.07   0.008% *  0.2026% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.15, residual support = 157.1:
      O   HE21  GLN   30 - HG2   GLN   30   3.73 +/- 0.18  98.486% * 99.6917% (0.87  10.0   4.15 157.06) =  99.998%  kept
          HD1   TRP   27 - HG2   GLN   30   7.72 +/- 0.80   1.505% *  0.1147% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG2   GLN   30  19.03 +/- 1.83   0.007% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  25.05 +/- 2.16   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.88, residual support = 157.1:
      O   HE21  GLN   30 - HG3   GLN   30   4.02 +/- 0.34  90.797% * 99.5784% (0.87  10.0   2.88 157.06) =  99.998%  kept
          HD1   TRP   27 - HG3   GLN   30   8.62 +/- 0.79   1.178% *  0.1145% (1.00   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   7.69 +/- 1.29   3.637% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   LYS+ 111   8.60 +/- 0.98   1.295% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.12 +/- 2.36   2.945% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  14.54 +/- 3.38   0.105% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  19.39 +/- 2.00   0.009% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.63 +/- 0.91   0.014% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.28 +/- 2.12   0.015% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.96 +/- 2.43   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.72 +/- 1.63   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.04 +/- 2.59   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.644, support = 6.18, residual support = 156.1:
          HN    GLN   30 - HG3   GLN   30   3.23 +/- 0.61  95.729% * 83.9637% (0.65   6.20 157.06) =  99.280%  kept
          HN    GLU-  29 - HG3   GLN   30   5.46 +/- 0.78   4.121% * 14.1442% (0.20   3.41  19.50) =   0.720%  kept
          HN    GLU-  14 - HG3   GLN   30  14.40 +/- 1.74   0.037% *  0.4151% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  14.78 +/- 1.69   0.039% *  0.3633% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  19.79 +/- 4.95   0.011% *  0.3866% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  16.25 +/- 1.23   0.010% *  0.2371% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  16.82 +/- 1.69   0.010% *  0.0777% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.69 +/- 1.97   0.019% *  0.0301% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.65 +/- 0.97   0.011% *  0.0185% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  21.10 +/- 1.91   0.002% *  0.0730% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  18.94 +/- 0.74   0.004% *  0.0283% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.90 +/- 2.16   0.002% *  0.0477% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.79 +/- 1.12   0.002% *  0.0211% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.50 +/- 1.68   0.000% *  0.0545% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.08 +/- 1.87   0.001% *  0.0323% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.41 +/- 1.69   0.000% *  0.0834% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.29 +/- 1.08   0.001% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.24 +/- 1.63   0.000% *  0.0167% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.17, support = 4.99, residual support = 44.3:
          HG    LEU   31 - HB3   GLN   30   4.33 +/- 0.77  51.277% * 74.0050% (0.15  1.00   5.83  52.11) =  83.512%  kept
          QD2   LEU   73 - HB3   GLN   30   4.53 +/- 1.77  48.710% * 15.3795% (0.25  1.00   0.75   4.76) =  16.486%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.52 +/- 1.56   0.008% *  8.0058% (0.49 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB3   GLN   30  23.02 +/- 3.87   0.002% *  1.6122% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  21.42 +/- 3.15   0.003% *  0.9976% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 4.76:
          QD1   LEU   73 - HB3   GLN   30   3.26 +/- 1.92  94.064% * 96.7129% (0.87   2.99   4.76) =  99.959%  kept
          QD2   LEU   80 - HB3   GLN   30   6.91 +/- 0.57   4.375% *  0.7383% (0.99   0.02   0.02) =   0.035%
          QG1   VAL   83 - HB3   GLN   30   8.94 +/- 2.37   1.418% *  0.3062% (0.41   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB3   GLN   30  13.88 +/- 1.16   0.050% *  0.6461% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.80 +/- 1.48   0.046% *  0.6461% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  14.16 +/- 1.91   0.039% *  0.2071% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.75 +/- 2.52   0.009% *  0.7432% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.40 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.722, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.67 +/- 3.30  25.165% * 54.6388% (0.97   0.02   0.02) =  54.887%  kept
          HG3   LYS+ 121 - HB2   GLN   30  22.38 +/- 3.81  17.082% * 36.6255% (0.65   0.02   0.02) =  24.974%  kept
          QD1   ILE   56 - HB2   GLN   30  17.30 +/- 1.53  57.754% *  8.7356% (0.15   0.02   0.02) =  20.140%  kept
    Distance limit 3.42 A violated in 20 structures by 12.19 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.53, residual support = 4.75:
          QD1   LEU   73 - HB2   GLN   30   2.77 +/- 1.91  95.073% * 93.7744% (0.87   1.53   4.76) =  99.935%  kept
          QD2   LEU   80 - HB2   GLN   30   7.91 +/- 0.45   3.414% *  1.3983% (0.99   0.02   0.02) =   0.054%
          QG1   VAL   83 - HB2   GLN   30   9.98 +/- 2.31   1.117% *  0.5800% (0.41   0.02   0.02) =   0.007%
          QD1   LEU  104 - HB2   GLN   30  13.30 +/- 1.20   0.137% *  1.2237% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   GLN   30  13.26 +/- 1.56   0.128% *  1.2237% (0.87   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   GLN   30  13.45 +/- 2.00   0.110% *  0.3922% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  18.41 +/- 2.51   0.021% *  1.4076% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 157.1:
      O T HA    GLN   30 - HG3   GLN   30   2.68 +/- 0.58  98.062% * 98.6729% (0.65  10.0 10.00   4.85 157.06) = 100.000%  kept
        T HD3   PRO   52 - HB2   PRO   93  10.12 +/- 2.16   0.117% *  0.0863% (0.06   1.0 10.00   0.02   0.42) =   0.000%
          HB    THR   39 - HG3   GLN   30  10.78 +/- 1.20   0.058% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.40 +/- 0.97   0.061% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   6.88 +/- 1.88   1.006% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.49 +/- 1.43   0.236% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.22 +/- 1.10   0.196% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  15.26 +/- 1.77   0.011% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  15.84 +/- 1.80   0.007% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93   9.88 +/- 2.00   0.205% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  15.28 +/- 2.92   0.013% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  18.31 +/- 1.55   0.003% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  15.05 +/- 2.24   0.007% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.98 +/- 1.99   0.010% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  20.56 +/- 2.10   0.002% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.11 +/- 2.63   0.001% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.45 +/- 1.21   0.001% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.24 +/- 2.14   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.87 +/- 1.84   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  19.06 +/- 1.19   0.001% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.09 +/- 1.95   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.40 +/- 2.03   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.45 +/- 1.47   0.001% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.74 +/- 1.95   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.24 +/- 1.61   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.49 +/- 2.20   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.07 +/- 1.06   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.55, residual support = 18.1:
          HZ2   TRP   27 - QD1   LEU   31   2.68 +/- 0.35  99.988% * 99.7704% (0.87   1.55  18.08) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.88 +/- 1.03   0.012% *  0.2296% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.809, support = 0.712, residual support = 6.48:
          HZ2   TRP   87 - QD1   LEU   31   5.56 +/- 4.44  70.983% * 48.3310% (0.76   0.75   2.03) =  71.521%  kept
          HD21  ASN   28 - QD1   LEU   31   5.15 +/- 0.60  28.444% * 48.0177% (0.92   0.62  17.65) =  28.474%  kept
          HN    ALA   84 - QD1   LEU   31  10.25 +/- 1.28   0.363% *  0.4689% (0.28   0.02   0.02) =   0.004%
          QE    PHE   60 - QD1   LEU   31  11.70 +/- 1.10   0.173% *  0.3337% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  16.57 +/- 0.98   0.019% *  1.2888% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.49 +/- 0.87   0.007% *  1.0910% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.75 +/- 1.72   0.010% *  0.4689% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.799, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  11.20 +/- 1.33  49.210% * 52.6698% (0.97   0.02   0.02) =  73.020%  kept
          HN    ASP- 105 - QD1   LEU   31  11.12 +/- 1.09  49.586% * 18.6164% (0.34   0.02   0.02) =  26.007%  kept
          HN    PHE   55 - QD1   LEU   31  20.68 +/- 1.01   1.203% * 28.7138% (0.53   0.02   0.02) =   0.974%  kept
    Distance limit 4.15 A violated in 20 structures by 5.65 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.69, residual support = 232.6:
          HN    LEU   31 - HG    LEU   31   2.80 +/- 0.59  99.922% * 99.1402% (0.67   7.69 232.59) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.56 +/- 0.63   0.076% *  0.1998% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.69 +/- 1.03   0.001% *  0.2770% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.98 +/- 1.47   0.001% *  0.3061% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.74 +/- 1.50   0.000% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 232.6:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.03  99.558% * 99.3670% (0.34  10.0   7.16 232.59) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.78 +/- 0.39   0.440% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  22.15 +/- 0.85   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  26.09 +/- 1.16   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 5.74, residual support = 44.1:
          HN    GLN   32 - HB3   LEU   31   3.83 +/- 0.18  81.178% * 84.5939% (0.76   5.93  45.76) =  96.105%  kept
          HN    ALA   34 - HB3   LEU   31   4.97 +/- 0.28  18.786% * 14.8133% (0.84   0.95   3.61) =   3.895%  kept
          HN    LEU   80 - HB3   LEU   31  15.44 +/- 0.58   0.019% *  0.2711% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  16.19 +/- 1.40   0.016% *  0.1401% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.09 +/- 1.32   0.001% *  0.1817% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 17.6:
        T HA    ASN   28 - HB2   LEU   31   3.36 +/- 0.25  97.976% * 98.0556% (0.73 10.00   2.56  17.65) =  99.989%  kept
        T HA    ALA   34 - HB2   LEU   31   7.66 +/- 0.22   0.785% *  1.2110% (0.90 10.00   0.02   3.61) =   0.010%
          HA1   GLY  101 - HB2   LEU   31   9.36 +/- 2.48   0.837% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.46 +/- 0.34   0.398% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  23.42 +/- 2.03   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  27.90 +/- 4.92   0.000% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.58 +/- 1.35   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.08 +/- 1.57   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.09 +/- 1.47   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 232.6:
      O   HN    LEU   31 - HB2   LEU   31   2.51 +/- 0.18  99.966% * 99.3670% (0.34  10.0   7.16 232.59) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.74 +/- 0.32   0.034% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.76 +/- 0.82   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.21 +/- 1.39   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 5.91, residual support = 45.6:
          HN    GLN   32 - HB2   LEU   31   2.75 +/- 0.19  97.915% * 84.5940% (0.76   5.93  45.76) =  99.630%  kept
          HN    ALA   34 - HB2   LEU   31   5.33 +/- 0.16   2.076% * 14.8132% (0.84   0.95   3.61) =   0.370%
          HN    LEU   80 - HB2   LEU   31  14.52 +/- 0.72   0.005% *  0.2711% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  15.72 +/- 1.38   0.003% *  0.1401% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.19 +/- 1.49   0.000% *  0.1817% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 232.6:
      O   HN    LEU   31 - HA    LEU   31   2.82 +/- 0.04  99.759% * 99.3670% (0.34  10.0   7.16 232.59) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.74 +/- 0.25   0.240% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.68 +/- 0.78   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.37 +/- 1.30   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.775, support = 5.24, residual support = 39.6:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.03  27.705% * 93.6224% (0.76  10.0   5.93  45.76) =  85.301%  kept
          HN    ALA   34 - HA    LEU   31   3.06 +/- 0.18  72.288% *  6.1831% (0.84   1.0   1.21   3.61) =  14.699%  kept
          HN    LEU   80 - HA    LEU   31  15.56 +/- 0.64   0.004% *  0.0890% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  17.18 +/- 0.98   0.003% *  0.0460% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.56 +/- 1.37   0.000% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 3.25:
          QD1   LEU   73 - HA    LEU   31   4.39 +/- 1.94  93.595% * 87.6986% (0.49   1.22   3.26) =  99.810%  kept
          QD2   LEU   80 - HA    LEU   31   9.72 +/- 0.44   2.532% *  2.5532% (0.87   0.02   0.02) =   0.079%
          QG1   VAL   83 - HA    LEU   31  10.56 +/- 2.66   2.306% *  2.3569% (0.80   0.02   0.02) =   0.066%
          QD1   LEU  104 - HA    LEU   31  11.44 +/- 0.96   1.078% *  2.9174% (0.99   0.02   0.02) =   0.038%
          QD1   LEU   63 - HA    LEU   31  14.21 +/- 1.36   0.209% *  1.4327% (0.49   0.02   0.02) =   0.004%
          QG2   ILE   89 - HA    LEU   31  14.18 +/- 0.50   0.234% *  0.5825% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  115 - HA    LEU   31  19.34 +/- 2.63   0.046% *  2.4586% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 5 structures by 0.82 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.528, support = 2.91, residual support = 9.47:
          HD1   TRP   87 - QG2   VAL   83   3.27 +/- 0.75  93.372% * 74.4344% (0.53   2.94   9.51) =  98.949%  kept
          HE3   TRP   87 - QG2   VAL   83   6.18 +/- 0.76   2.897% * 13.0031% (0.45   0.60   9.51) =   0.536%  kept
          HN    TRP   27 - QG2   VAL   83   6.86 +/- 1.34   3.494% * 10.2874% (1.00   0.21   2.70) =   0.512%  kept
          HN    ALA   91 - QG2   VAL   83   9.69 +/- 1.40   0.194% *  0.8040% (0.84   0.02   0.02) =   0.002%
          HN    ALA   61 - QG2   VAL   83  15.81 +/- 1.12   0.012% *  0.7356% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  15.97 +/- 1.83   0.013% *  0.5450% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.34 +/- 2.02   0.018% *  0.1905% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 3 structures by 0.23 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  15.45 +/- 1.18 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 12.36 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.561, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QG2   VAL   42   9.01 +/- 1.35  46.736% * 30.1124% (0.67   0.02   0.02) =  59.777%  kept
          QD    PHE   59 - QG2   VAL   42   9.13 +/- 1.63  45.545% * 17.5479% (0.39   0.02   0.02) =  33.947%  kept
          HD1   TRP   27 - QG2   VAL   42  12.59 +/- 0.71   7.005% * 17.5479% (0.39   0.02   0.02) =   5.221%  kept
          HH2   TRP   49 - QG2   VAL   42  18.73 +/- 1.76   0.714% * 34.7918% (0.77   0.02   0.02) =   1.055%  kept
    Distance limit 3.27 A violated in 20 structures by 4.49 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 0.332, residual support = 1.4:
          QD2   LEU   40 - QG2   VAL   42   2.56 +/- 0.81  83.572% * 65.1604% (0.79  1.00   0.34   1.42) =  99.025%  kept
          QD1   LEU   67 - QG2   VAL   42   4.79 +/- 1.26  10.704% *  3.9115% (0.80  1.00   0.02   0.02) =   0.761%  kept
          QD2   LEU   71 - QG2   VAL   42   6.34 +/- 0.99   3.458% *  1.9082% (0.39  1.00   0.02   2.24) =   0.120%
          QG2   ILE  103 - QG2   VAL   42   6.73 +/- 0.68   0.495% *  3.8856% (0.79  1.00   0.02   0.02) =   0.035%
        T HB    VAL   75 - QG2   VAL   42   9.34 +/- 0.83   0.078% * 19.0819% (0.39 10.00   0.02   0.02) =   0.027%
          QG2   ILE  119 - QG2   VAL   42   7.98 +/- 2.88   1.445% *  0.8728% (0.18  1.00   0.02   0.02) =   0.023%
          QD1   ILE  103 - QG2   VAL   42   7.50 +/- 0.68   0.196% *  1.4713% (0.30  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - QG2   VAL   42  10.19 +/- 1.07   0.052% *  3.7084% (0.76  1.00   0.02   0.02) =   0.003%
    Distance limit 2.99 A violated in 0 structures by 0.05 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 = 0.974, support = 3.92, residual support = 17.9:
        T HZ2   TRP   27 - QD2   LEU   31   3.79 +/- 0.54  57.841% * 97.5249% (0.99 10.00   3.98  18.08) =  98.184%  kept
        T HZ2   TRP   27 - QG2   VAL   43   4.17 +/- 0.90  42.159% *  2.4751% (0.07 10.00   0.75   5.52) =   1.816%  kept
    Distance limit 3.25 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 52.1:
          HE22  GLN   30 - QD2   LEU   31   4.06 +/- 0.19  85.118% * 99.1220% (0.90   3.20  52.11) =  99.992%  kept
          HE22  GLN   30 - QG2   VAL   43   6.08 +/- 1.26  14.698% *  0.0419% (0.06   0.02   0.02) =   0.007%
          HD22  ASN   69 - QD2   LEU   31  14.03 +/- 1.68   0.068% *  0.4469% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  18.29 +/- 0.86   0.011% *  0.3362% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.55 +/- 0.54   0.065% *  0.0228% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.75 +/- 0.90   0.041% *  0.0302% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 59.3:
      O T HA    VAL   43 - QG2   VAL   43   2.31 +/- 0.22  99.359% * 99.3737% (0.50  10.0 10.00   3.00  59.35) =  99.998%  kept
        T HA    VAL   43 - QD2   LEU   31   6.06 +/- 0.94   0.509% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   8.14 +/- 1.21   0.105% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31   9.95 +/- 0.67   0.022% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.22 +/- 0.54   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  13.43 +/- 1.25   0.003% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 2.61, residual support = 17.3:
        T HZ3   TRP   27 - QD2   LEU   31   2.26 +/- 0.43  80.866% * 77.1621% (0.14 10.00   2.68  18.08) =  93.455%  kept
          HZ3   TRP   27 - QG2   VAL   43   3.28 +/- 0.62  19.134% * 22.8379% (0.50  1.00   1.70   5.52) =   6.545%  kept
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.916, support = 4.17, residual support = 43.7:
          HN    GLN   32 - QG    GLN   32   3.39 +/- 0.64  93.563% * 85.8125% (0.92   4.18  44.16) =  98.923%  kept
          HN    ALA   34 - QG    GLN   32   5.71 +/- 0.23   6.422% * 13.6120% (0.22   2.75   0.10) =   1.077%  kept
          HN    SER   85 - QG    GLN   32  18.00 +/- 1.56   0.005% *  0.4291% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  16.47 +/- 1.44   0.008% *  0.0686% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.79 +/- 0.98   0.002% *  0.0779% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.18, residual support = 44.2:
      O   HN    GLN   32 - QB    GLN   32   2.17 +/- 0.12  99.215% * 99.8359% (0.92  10.0   4.18  44.16) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.89 +/- 0.13   0.784% *  0.0241% (0.22   1.0   0.02   0.10) =   0.000%
          HN    SER   85 - QB    GLN   32  17.39 +/- 0.83   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.32 +/- 0.76   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.85 +/- 0.58   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.217, support = 5.77, residual support = 66.2:
      O   HN    GLU-  29 - HA    GLU-  29   2.70 +/- 0.01  81.615% * 27.4129% (0.14  10.0   5.98  92.20) =  64.185%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.48 +/- 0.01  17.553% * 71.1184% (0.36  10.0   5.41  19.50) =  35.813%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.15   0.360% *  0.1093% (0.55   1.0   0.02   1.63) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.54 +/- 0.33   0.179% *  0.1125% (0.57   1.0   0.02   0.28) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.39 +/- 0.23   0.197% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.00 +/- 0.52   0.063% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.60 +/- 1.65   0.013% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.87 +/- 2.47   0.005% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.97 +/- 1.48   0.005% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.95 +/- 1.58   0.003% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.97 +/- 2.29   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.69 +/- 1.28   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.19 +/- 2.12   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.33 +/- 2.16   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  21.73 +/- 6.08   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  22.39 +/- 6.35   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.25 +/- 1.31   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  23.88 +/- 5.47   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.13, residual support = 44.1:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.03  77.636% * 98.5568% (0.39  10.0   4.13  44.16) =  99.831%  kept
          HN    GLN   32 - HA    GLU-  29   3.41 +/- 0.10  20.860% *  0.6121% (0.25   1.0   0.19   0.02) =   0.167%
          HN    GLN   32 - HA    LYS+  33   5.28 +/- 0.06   1.499% *  0.1014% (0.40   1.0   0.02  11.35) =   0.002%
          HN    SER   85 - HA    GLU-  29  17.64 +/- 0.54   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  19.65 +/- 1.18   0.001% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  22.50 +/- 0.58   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.84 +/- 0.63   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  16.99 +/- 0.65   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.90 +/- 0.53   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.91 +/- 0.52   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  20.52 +/- 0.63   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  21.96 +/- 0.73   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 5.51, residual support = 141.3:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.01  74.372% * 79.3011% (0.69  10.0   5.60 150.40) =  93.439%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.02  20.301% * 20.3940% (0.18  10.0   4.21  11.35) =   6.559%  kept
          HN    LYS+  33 - HA    GLU-  29   4.68 +/- 0.56   5.305% *  0.0221% (0.19   1.0   0.02   0.02) =   0.002%
          HN    CYS   21 - HA    LYS+  33  14.93 +/- 0.53   0.004% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLU-  29  12.07 +/- 0.42   0.013% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.22 +/- 0.37   0.003% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  22.85 +/- 0.51   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.34 +/- 2.90   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  19.20 +/- 0.62   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  20.27 +/- 0.80   0.001% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.43 +/- 2.96   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.32 +/- 2.36   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.312, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   8.36 +/- 0.40  94.938% *  5.4417% (0.14   0.02   0.02) =  75.817%  kept
          QD    PHE   60 - QB    LYS+  33  15.22 +/- 1.08   2.882% * 37.1179% (0.92   0.02   0.02) =  15.699%  kept
          HN    LYS+  81 - QB    LYS+  33  18.42 +/- 0.93   0.866% * 39.4132% (0.98   0.02   0.02) =   5.009%  kept
          HN    LYS+  66 - QB    LYS+  33  17.50 +/- 1.29   1.314% * 18.0271% (0.45   0.02   0.02) =   3.475%  kept
    Distance limit 3.59 A violated in 20 structures by 4.69 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 150.4:
      O   HN    LYS+  33 - QB    LYS+  33   2.36 +/- 0.30  99.990% * 99.9232% (0.97  10.0   5.74 150.40) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.38 +/- 0.61   0.009% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  22.32 +/- 2.46   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.914, support = 5.86, residual support = 42.6:
          HN    ALA   34 - QB    LYS+  33   2.93 +/- 0.29  93.047% * 67.9778% (0.92   5.93  43.71) =  96.646%  kept
          HN    GLN   32 - QB    LYS+  33   4.74 +/- 0.36   6.947% * 31.5951% (0.65   3.93  11.35) =   3.354%  kept
          HN    LEU   80 - QB    LYS+  33  16.33 +/- 0.96   0.004% *  0.2074% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  19.16 +/- 0.63   0.001% *  0.0691% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  24.54 +/- 1.45   0.000% *  0.1506% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.423, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  11.36 +/- 1.48  76.587% *  8.4971% (0.20   0.02   0.02) =  50.493%  kept
          HN    ILE  103 - QB    LYS+  33  15.19 +/- 1.45  16.252% * 24.3087% (0.57   0.02   0.02) =  30.652%  kept
          HN    SER   82 - QB    LYS+  33  18.57 +/- 1.16   5.125% * 34.3809% (0.80   0.02   0.02) =  13.672%  kept
          HN    GLN   90 - QB    LYS+  33  21.34 +/- 1.13   2.036% * 32.8133% (0.76   0.02   0.02) =   5.183%  kept
    Distance limit 3.79 A violated in 20 structures by 7.00 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 = 149.6:
      O   HA    LYS+  33 - HG2   LYS+  33   3.73 +/- 0.35  82.200% * 94.2499% (0.53  10.0   5.39 150.40) =  99.435%  kept
          HB2   SER   82 - QG    LYS+  81   5.48 +/- 0.55  10.324% *  4.1823% (0.13   1.0   3.51  11.89) =   0.554%  kept
          HB2   SER   37 - HG2   LYS+  33   7.13 +/- 1.37   3.963% *  0.1496% (0.84   1.0   0.02   0.02) =   0.008%
          HA    GLU-  29 - HG2   LYS+  33   6.73 +/- 0.96   3.013% *  0.0672% (0.38   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HG2   LYS+  33  10.80 +/- 1.47   0.234% *  0.1496% (0.84   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  12.11 +/- 1.50   0.110% *  0.0611% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  14.02 +/- 1.39   0.041% *  0.0872% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.62 +/- 1.77   0.033% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.27 +/- 1.60   0.020% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  17.01 +/- 1.25   0.012% *  0.0371% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  16.45 +/- 0.76   0.013% *  0.0322% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.62 +/- 1.29   0.004% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.53 +/- 0.55   0.009% *  0.0293% (0.16   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  20.49 +/- 2.10   0.005% *  0.0529% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  20.96 +/- 1.68   0.003% *  0.0498% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.49 +/- 1.34   0.003% *  0.0572% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.43 +/- 3.15   0.001% *  0.1496% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.43 +/- 2.45   0.004% *  0.0302% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.14 +/- 1.62   0.003% *  0.0408% (0.23   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  23.74 +/- 2.02   0.002% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.93 +/- 0.60   0.002% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  21.36 +/- 0.71   0.003% *  0.0451% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  24.66 +/- 0.71   0.001% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.61 +/- 0.56   0.001% *  0.0417% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 4.78, residual support = 123.6:
        T QD1   ILE   56 - QG2   ILE   56   2.45 +/- 0.67  99.818% * 99.6085% (0.98 10.00   4.78 123.58) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.79 +/- 1.94   0.128% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.30 +/- 1.54   0.010% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.68 +/- 1.45   0.010% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.04 +/- 1.61   0.033% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.85 +/- 1.82   0.002% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.24 +/- 1.01  99.116% * 49.9558% (0.99 10.00   0.02   0.02) =  99.952%  kept
        T HA    ILE   19 - QG2   ILE   56  14.47 +/- 1.45   0.031% * 42.0992% (0.84 10.00   0.02   0.02) =   0.026%
          HA    GLU- 114 - QG2   ILE   56   8.89 +/- 1.03   0.842% *  1.2568% (0.25  1.00   0.02   0.02) =   0.021%
          HA    THR   26 - QG2   ILE   56  20.07 +/- 1.62   0.004% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  21.22 +/- 1.53   0.003% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  20.45 +/- 1.87   0.004% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 5 structures by 0.49 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 = 0.851, support = 3.15, residual support = 15.1:
          HA    PHE   55 - QG2   ILE   56   4.97 +/- 0.66  25.518% * 87.4449% (0.92   4.00  18.88) =  73.880%  kept
          HA    ALA  110 - QG2   ILE   56   4.76 +/- 3.21  68.642% * 11.4844% (0.65   0.75   4.43) =  26.100%  kept
          HA    THR   46 - QG2   ILE   56   6.53 +/- 1.49   5.550% *  0.0937% (0.20   0.02   0.02) =   0.017%
          HA    GLN   90 - QG2   ILE   56  11.80 +/- 2.11   0.142% *  0.3618% (0.76   0.02   0.02) =   0.002%
          HA    VAL   42 - QG2   ILE   56  12.41 +/- 1.89   0.091% *  0.3791% (0.80   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  13.17 +/- 1.29   0.057% *  0.1180% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.98 +/- 1.54   0.001% *  0.1180% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 2 structures by 0.38 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.73 +/- 1.02 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 7.82 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 = 33.4:
          HN    ALA   57 - QG2   ILE   56   3.29 +/- 0.68  98.451% * 99.1190% (0.92   5.34  33.44) =  99.995%  kept
          HE21  GLN  116 - QG2   ILE   56  10.23 +/- 2.06   0.999% *  0.3490% (0.87   0.02   0.02) =   0.004%
          HN    ALA  120 - QG2   ILE   56  10.04 +/- 1.41   0.502% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  13.33 +/- 1.72   0.048% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.62, residual support = 123.6:
          HN    ILE   56 - QG2   ILE   56   2.51 +/- 0.51  90.419% * 98.5248% (0.65   6.62 123.58) =  99.989%  kept
          QE    PHE   60 - QG2   ILE   56   6.31 +/- 2.03   7.612% *  0.0911% (0.20   0.02   3.98) =   0.008%
          HN    LYS+ 111 - QG2   ILE   56   6.11 +/- 2.15   1.801% *  0.1280% (0.28   0.02   2.17) =   0.003%
          HN    LEU   63 - QG2   ILE   56   8.05 +/- 0.86   0.157% *  0.3517% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  15.50 +/- 2.19   0.006% *  0.3517% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.17 +/- 1.70   0.003% *  0.1280% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.72 +/- 1.52   0.001% *  0.4248% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 1.75, residual support = 4.49:
        T HB    THR   39 - QB    ALA   34   4.21 +/- 0.71  54.334% * 89.7036% (0.80 10.00   1.77   4.65) =  95.498%  kept
          HB3   SER   37 - QB    ALA   34   4.67 +/- 0.24  26.490% *  5.6192% (0.69  1.00   1.30   1.06) =   2.916%  kept
          HA    GLN   30 - QB    ALA   34   5.09 +/- 0.56  19.028% *  4.2510% (0.44  1.00   1.55   1.13) =   1.585%  kept
          QB    SER   13 - QB    ALA   34  13.43 +/- 1.97   0.094% *  0.1042% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  16.11 +/- 1.84   0.018% *  0.1119% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  16.26 +/- 0.49   0.014% *  0.0863% (0.69  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  16.89 +/- 2.35   0.015% *  0.0424% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.56 +/- 1.29   0.002% *  0.0639% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.62 +/- 1.17   0.005% *  0.0174% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.992, residual support = 3.61:
          HA    LEU   31 - QB    ALA   34   2.35 +/- 0.20 100.000% *100.0000% (0.65   0.99   3.61) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 9.42:
        T QG1   VAL   41 - QB    ALA   34   1.68 +/- 0.09  99.422% * 98.5777% (0.75 10.00   2.96   9.42) =  99.999%  kept
          HG    LEU   31 - QB    ALA   34   4.78 +/- 0.62   0.291% *  0.1089% (0.83  1.00   0.02   3.61) =   0.000%
          QD2   LEU   73 - QB    ALA   34   5.20 +/- 1.29   0.196% *  0.0945% (0.72  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QB    ALA   34   5.67 +/- 0.52   0.089% *  0.0763% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.48 +/- 0.61   0.002% *  0.4852% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.56 +/- 1.14   0.000% *  0.6209% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.37 +/- 0.69   0.000% *  0.0364% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.32, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.94 +/- 0.07  99.926% * 98.6054% (0.62   3.32  18.77) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.04 +/- 0.70   0.068% *  0.2665% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.76 +/- 2.20   0.004% *  0.8615% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.55 +/- 1.14   0.001% *  0.2665% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.72, residual support = 25.6:
      O   HN    ALA   34 - QB    ALA   34   2.03 +/- 0.08  99.996% * 99.6936% (0.58  10.0   3.72  25.58) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.24 +/- 0.28   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.06 +/- 0.57   0.001% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.22 +/- 1.09   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 3.53, residual support = 25.6:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.01  99.608% * 99.6949% (0.87  10.0   3.53  25.58) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.96 +/- 0.11   0.390% *  0.0287% (0.25   1.0   0.02   0.10) =   0.000%
          HN    LEU   80 - HA    ALA   34  19.82 +/- 0.75   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.01 +/- 3.63   0.001% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.99 +/- 1.40   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  25.41 +/- 5.88   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  32.32 +/- 3.04   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.76 +/- 5.22   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.887, support = 1.5, residual support = 2.8:
          HB3   SER   37 - HA    ALA   34   3.16 +/- 0.27  66.239% * 33.3215% (0.89   1.03   1.06) =  51.647%  kept
          HB    THR   39 - HA    ALA   34   3.77 +/- 0.78  32.628% * 63.3261% (0.88   2.00   4.65) =  48.349%  kept
          HA    GLN   30 - HA    ALA   34   6.71 +/- 0.69   1.087% *  0.1131% (0.16   0.02   1.13) =   0.003%
          QB    SER   13 - HA    ALA   34  14.64 +/- 2.59   0.029% *  0.6235% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.20 +/- 0.36   0.008% *  0.1133% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  20.56 +/- 7.26   0.003% *  0.1454% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  21.62 +/- 2.73   0.001% *  0.4937% (0.69   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  21.72 +/- 0.66   0.001% *  0.6446% (0.89   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  21.38 +/- 2.14   0.001% *  0.4691% (0.65   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.64 +/- 5.15   0.001% *  0.1431% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  23.75 +/- 7.00   0.001% *  0.1480% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.15 +/- 4.04   0.001% *  0.0330% (0.05   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  27.72 +/- 1.87   0.000% *  0.1480% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.89 +/- 1.65   0.000% *  0.1438% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  27.26 +/- 5.01   0.000% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.37 +/- 2.93   0.000% *  0.1077% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.04, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.74 +/- 0.07  99.845% * 97.5620% (0.90  10.0 10.00   4.04  55.50) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.79 +/- 0.85   0.056% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35  10.18 +/- 1.54   0.076% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.53 +/- 0.46   0.011% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  17.20 +/- 1.63   0.002% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.67 +/- 0.63   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.53 +/- 1.07   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.29 +/- 1.15   0.003% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.20 +/- 3.01   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  26.50 +/- 6.02   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.52 +/- 1.98   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  22.45 +/- 2.34   0.000% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  28.21 +/- 1.54   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  27.37 +/- 1.15   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  29.68 +/- 4.10   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.31 +/- 2.16   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  26.59 +/- 1.28   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.43 +/- 1.67   0.000% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB2   ASN   35   2.51 +/- 0.52  99.924% * 99.6071% (0.57  10.0   5.88  55.50) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.98 +/- 1.87   0.031% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.21 +/- 0.38   0.039% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.23 +/- 1.55   0.003% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  21.49 +/- 6.94   0.001% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  19.25 +/- 2.50   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  22.53 +/- 3.25   0.000% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  21.06 +/- 1.89   0.000% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  24.29 +/- 5.30   0.000% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  25.33 +/- 2.42   0.000% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.5:
      O   HD21  ASN   35 - HB2   ASN   35   2.38 +/- 0.23  99.977% * 99.7208% (1.00  10.0   3.60  55.50) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.56 +/- 0.84   0.017% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.77 +/- 0.81   0.005% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  19.60 +/- 1.49   0.000% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.87 +/- 1.04   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.10 +/- 2.07   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  21.34 +/- 2.21   0.000% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.76 +/- 2.03   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  26.53 +/- 1.22   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  23.10 +/- 0.85   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.937, support = 2.22, residual support = 7.35:
        T HA    GLN   32 - HB2   ASN   35   3.40 +/- 0.73  63.235% * 74.0291% (0.99 10.00   2.08   6.02) =  93.730%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.80 +/- 0.15  32.503% *  7.9253% (0.11 10.00   4.75  32.79) =   5.158%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.43 +/- 0.29   3.330% * 16.6286% (0.22 10.00   2.01   1.41) =   1.109%  kept
        T HA    GLN   32 - HB2   ASN   28   7.44 +/- 0.45   0.569% *  0.2303% (0.31 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASN   35   8.54 +/- 0.71   0.209% *  0.2548% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.12 +/- 0.57   0.082% *  0.0517% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  12.62 +/- 2.19   0.037% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.71 +/- 1.26   0.001% *  0.3349% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  13.96 +/- 0.87   0.015% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  17.50 +/- 1.04   0.003% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  17.66 +/- 1.14   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.81 +/- 1.15   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.50 +/- 0.70   0.005% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  20.31 +/- 1.47   0.002% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  23.02 +/- 1.15   0.001% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.32 +/- 1.43   0.001% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  21.74 +/- 2.34   0.001% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.37 +/- 1.43   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  28.34 +/- 1.27   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.84 +/- 1.76   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  22.16 +/- 1.00   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.22 +/- 1.76   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  27.44 +/- 4.53   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.79 +/- 2.77   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.88, residual support = 52.1:
          QB    GLU-  36 - HB3   ASN   35   4.10 +/- 0.09  95.741% * 98.6152% (0.99   4.88  52.07) =  99.995%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.20 +/- 0.57   3.685% *  0.0715% (0.18   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB3   ASN   35  10.35 +/- 0.36   0.386% *  0.3767% (0.92   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB3   ASN   35  11.73 +/- 0.40   0.182% *  0.2310% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  22.19 +/- 1.12   0.004% *  0.3938% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  27.94 +/- 0.99   0.001% *  0.3118% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.777, support = 5.09, residual support = 46.8:
          QB    GLU-  36 - HB2   ASN   35   4.87 +/- 0.30  30.697% * 69.4843% (0.99  1.00   5.28  52.07) =  72.445%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.51 +/- 0.47  50.298% * 10.7940% (0.18  1.00   4.62  32.79) =  18.440%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.42 +/- 0.27  15.494% * 17.2979% (0.29  1.00   4.54  32.79) =   9.103%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.35 +/- 0.57   2.713% *  0.0465% (0.18  1.00   0.02   0.02) =   0.004%
        T HB3   GLU-  79 - HB2   ASN   28  12.71 +/- 0.97   0.098% *  0.7965% (0.30 10.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB2   ASN   35  10.43 +/- 0.80   0.316% *  0.2449% (0.92  1.00   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HB2   ASN   35  11.73 +/- 0.70   0.152% *  0.1502% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.06 +/- 0.47   0.208% *  0.0818% (0.31  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   ASN   28  21.24 +/- 1.52   0.005% *  0.6307% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  21.66 +/- 1.33   0.004% *  0.2560% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.12 +/- 0.56   0.015% *  0.0145% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  27.04 +/- 1.41   0.001% *  0.2028% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.56, support = 1.86, residual support = 5.25:
          HA    GLN   32 - HB3   ASN   35   3.49 +/- 0.38  87.135% * 36.7447% (0.49  1.00   1.94   6.02) =  83.292%  kept
          HA    LYS+  33 - HB3   ASN   35   4.96 +/- 0.31  12.415% * 51.6991% (0.92  1.00   1.44   1.41) =  16.698%  kept
          HA    GLU-  29 - HB3   ASN   35   8.57 +/- 0.43   0.414% *  0.7708% (0.99  1.00   0.02   0.02) =   0.008%
        T HA    VAL   18 - HB3   ASN   35  17.92 +/- 0.81   0.005% *  7.7597% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.84 +/- 0.95   0.027% *  0.5031% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  22.38 +/- 2.39   0.002% *  0.7760% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  23.95 +/- 0.81   0.001% *  0.4092% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  29.04 +/- 2.78   0.000% *  0.5031% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.00 +/- 1.23   0.000% *  0.5943% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  31.97 +/- 1.34   0.000% *  0.2400% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.5:
      O   HA    ASN   35 - HB3   ASN   35   3.00 +/- 0.04  99.867% * 99.4336% (0.90  10.0   3.95  55.50) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.93 +/- 1.41   0.066% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.43 +/- 0.59   0.061% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  17.26 +/- 1.56   0.003% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.89 +/- 3.05   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  27.05 +/- 5.83   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  30.25 +/- 1.27   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.80 +/- 1.25   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.13 +/- 1.64   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.5:
      O   HD21  ASN   35 - HB3   ASN   35   2.77 +/- 0.32  99.998% * 99.8105% (1.00  10.0   3.26  55.50) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  20.00 +/- 0.83   0.001% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  21.29 +/- 0.82   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.50 +/- 1.80   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  27.45 +/- 1.28   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 52.1:
          HN    GLU-  36 - HB3   ASN   35   2.95 +/- 0.10  99.455% * 98.9717% (0.97   5.91  52.07) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   7.20 +/- 0.24   0.479% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.35 +/- 2.17   0.056% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.18 +/- 0.54   0.008% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  19.63 +/- 2.29   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB3   ASN   35   2.70 +/- 0.36  99.999% * 99.9102% (0.97  10.0   5.88  55.50) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  22.06 +/- 3.46   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.5:
      O   HD22  ASN   35 - HB3   ASN   35   3.75 +/- 0.15 100.000% *100.0000% (0.99  10.0   3.26  55.50) = 100.000%  kept
    Distance limit 3.99 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   3.54 +/- 0.16  97.730% * 98.9280% (0.92   6.05  52.07) =  99.995%  kept
          HN    THR   39 - HB2   ASN   35   7.10 +/- 0.30   1.634% *  0.1863% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   35  10.51 +/- 2.26   0.477% *  0.3533% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB2   ASN   28  11.57 +/- 0.43   0.084% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  13.53 +/- 1.64   0.039% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.55 +/- 1.68   0.012% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  18.73 +/- 2.17   0.006% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.86 +/- 0.32   0.018% *  0.0580% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.58, residual support = 86.8:
      O T HA    GLU-  36 - QB    GLU-  36   2.43 +/- 0.18  99.990% * 99.4140% (0.84  10.0 10.00   5.58  86.75) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  11.93 +/- 0.61   0.008% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  17.82 +/- 0.97   0.001% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.94 +/- 0.85   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  22.75 +/- 0.61   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  25.40 +/- 5.95   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.57 +/- 0.93   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.34 +/- 1.66   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.95 +/- 1.95   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  31.31 +/- 4.66   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 19.0:
          HN    SER   37 - QB    GLU-  36   3.36 +/- 0.21  84.660% * 95.6947% (0.45   3.72  19.02) =  99.952%  kept
          HN    LYS+  33 - QB    GLU-  36   4.81 +/- 0.24  10.495% *  0.3192% (0.28   0.02   0.02) =   0.041%
          HN    LYS+  33 - HB3   GLU-  29   5.63 +/- 0.54   4.696% *  0.0989% (0.09   0.02   0.02) =   0.006%
          HN    CYS   21 - HB3   GLU-  29  10.93 +/- 0.55   0.076% *  0.3432% (0.30   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.39 +/- 0.66   0.061% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.78 +/- 0.66   0.008% *  1.1078% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  22.51 +/- 0.41   0.001% *  0.7426% (0.65   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.92 +/- 2.77   0.001% *  0.9957% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  20.07 +/- 0.90   0.002% *  0.2301% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.53 +/- 2.14   0.000% *  0.3085% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 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   2.09 +/- 0.06  99.849% * 99.6455% (0.69  10.0   7.31  86.75) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.31 +/- 0.30   0.135% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.76 +/- 0.57   0.010% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.18 +/- 1.90   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.17 +/- 0.73   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.06 +/- 1.91   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.32 +/- 1.00   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  19.86 +/- 1.56   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  17.05 +/- 1.11   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.53 +/- 0.88   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.85, residual support = 86.8:
          HN    GLU-  36 - HG2   GLU-  36   3.53 +/- 0.48  99.969% * 98.4030% (0.28   4.85  86.75) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.02 +/- 2.20   0.029% *  0.6537% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.99 +/- 1.66   0.003% *  0.9432% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.85, residual support = 86.7:
          HN    GLU-  36 - HG3   GLU-  36   4.07 +/- 0.04  97.712% * 98.8139% (0.69   4.85  86.75) =  99.996%  kept
          HN    THR   39 - HG3   GLU-  36   8.20 +/- 1.12   2.196% *  0.1648% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  15.96 +/- 2.15   0.036% *  0.5141% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  19.01 +/- 2.98   0.018% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.79 +/- 1.35   0.004% *  0.1478% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.05 +/- 2.73   0.026% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  23.43 +/- 1.64   0.003% *  0.1829% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.49 +/- 2.59   0.002% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.94 +/- 1.78   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  30.36 +/- 2.19   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.07 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 +/- 0.02  99.987% * 99.6076% (0.28  10.0   6.06  86.75) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.64 +/- 2.16   0.012% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  20.06 +/- 1.19   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.43, residual support = 26.3:
      O   HN    SER   37 - HB2   SER   37   3.53 +/- 0.20  99.989% * 99.7690% (0.98  10.0   3.43  26.26) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.17 +/- 0.88   0.008% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.38 +/- 3.43   0.002% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.90 +/- 0.67   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.86 +/- 0.50  46.895% * 12.9780% (0.47   0.02   0.02) =  50.785%  kept
          HN    GLU-  29 - HB3   SER   37  13.05 +/- 0.54  15.559% * 22.4691% (0.82   0.02   0.02) =  29.171%  kept
          HN    VAL   18 - QB    SER   13  12.06 +/- 0.78  25.923% *  4.8772% (0.18   0.02   0.02) =  10.550%  kept
          HN    GLN   30 - QB    SER   13  17.40 +/- 1.98   3.687% *  9.9312% (0.36   0.02   0.02) =   3.056%  kept
          HN    GLU-  29 - QB    SER   13  19.24 +/- 2.17   1.983% * 17.1942% (0.63   0.02   0.02) =   2.846%  kept
          HN    VAL   18 - HB3   SER   37  15.88 +/- 1.07   5.276% *  6.3735% (0.23   0.02   0.02) =   2.806%  kept
          HN    ASP-  86 - HB3   SER   37  23.34 +/- 1.39   0.504% * 14.8290% (0.54   0.02   0.02) =   0.624%  kept
          HN    ASP-  86 - QB    SER   13  28.15 +/- 2.16   0.173% * 11.3477% (0.41   0.02   0.02) =   0.164%
    Distance limit 3.78 A violated in 20 structures by 5.79 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.61, residual support = 218.3:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.01  96.642% * 99.8691% (0.92  10.0   6.61 218.26) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.02 +/- 0.01   2.711% *  0.0270% (0.25   1.0   0.02  13.39) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.19 +/- 2.09   0.534% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.76 +/- 2.03   0.097% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.59 +/- 0.36   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.36 +/- 1.54   0.007% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  23.06 +/- 0.73   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.44 +/- 1.25   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.87 +/- 1.07   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.62 +/- 1.41   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 22.8:
      O   HN    THR   39 - HA    LYS+  38   3.07 +/- 0.03  87.577% * 99.6467% (0.92  10.0   6.29  22.82) =  99.995%  kept
          HN    GLU-  36 - HA    LYS+  38   5.37 +/- 0.05   3.084% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    LYS+  38   8.49 +/- 2.00   0.447% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    GLU- 100   5.04 +/- 0.54   5.452% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.21 +/- 2.10   3.113% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.51 +/- 1.94   0.317% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  20.36 +/- 2.11   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.97 +/- 0.39   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  18.76 +/- 2.10   0.002% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.53 +/- 1.55   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 13.4:
          HN    SER   37 - HB2   LYS+  38   4.61 +/- 0.08  99.978% * 32.1378% (1.00   0.02  13.39) =  99.987%  kept
          HN    ILE  119 - HB2   LYS+  38  24.67 +/- 3.76   0.006% * 25.7912% (0.80   0.02   0.02) =   0.005%
          HN    CYS   21 - HB2   LYS+  38  20.66 +/- 0.52   0.013% * 10.9869% (0.34   0.02   0.02) =   0.004%
          HN    ILE   89 - HB2   LYS+  38  25.68 +/- 1.03   0.003% * 31.0842% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 15 structures by 0.93 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.453, support = 5.3, residual support = 22.5:
          HN    THR   39 - HB2   LYS+  38   4.28 +/- 0.18  89.873% * 88.6345% (0.45   5.36  22.82) =  98.786%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.34 +/- 0.29   9.477% * 10.2834% (0.87   0.32   0.63) =   1.209%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.58 +/- 1.94   0.645% *  0.7231% (0.98   0.02   0.02) =   0.006%
          HD1   TRP   87 - HB2   LYS+  38  23.08 +/- 2.10   0.004% *  0.3591% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 6 structures by 0.92 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.785, support = 5.79, residual support = 210.9:
          HN    LYS+  38 - HG2   LYS+  38   3.39 +/- 0.31  89.156% * 75.0204% (0.80   5.85 218.26) =  96.381%  kept
          HN    SER   37 - HG2   LYS+  38   4.89 +/- 0.20  10.187% * 24.6474% (0.38   4.10  13.39) =   3.618%  kept
          HN    LYS+  38 - HG2   LYS+  99   9.13 +/- 1.61   0.503% *  0.0699% (0.22   0.02   0.02) =   0.001%
          HN    SER   37 - HG2   LYS+  99  10.66 +/- 1.53   0.152% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.13 +/- 1.01   0.001% *  0.0713% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.29 +/- 1.31   0.002% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.54 +/- 1.52   0.000% *  0.1092% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  28.11 +/- 1.16   0.000% *  0.0298% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.779, support = 5.55, residual support = 207.9:
          HN    LYS+  38 - HG3   LYS+  38   4.04 +/- 0.18  86.911% * 71.9760% (0.80   5.60 218.26) =  94.931%  kept
          HN    SER   37 - HG3   LYS+  38   5.65 +/- 0.19  12.021% * 27.7849% (0.38   4.62  13.39) =   5.069%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.51 +/- 1.32   0.786% *  0.0268% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  11.05 +/- 1.26   0.275% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.14 +/- 1.55   0.002% *  0.0714% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.59 +/- 1.15   0.000% *  0.1094% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.31 +/- 1.30   0.005% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  28.02 +/- 1.06   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.74, residual support = 38.3:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.02  95.772% * 95.3245% (0.97  10.0   3.75  38.36) =  99.818%  kept
          HN    LYS+ 102 - HA    ILE  103   4.94 +/- 0.18   3.907% *  4.2514% (0.24   1.0   3.59  22.38) =   0.182%
          HN    GLU-  36 - HA    THR   39   8.36 +/- 0.18   0.164% *  0.0886% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.71 +/- 1.55   0.112% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.56 +/- 1.21   0.017% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  13.41 +/- 2.79   0.016% *  0.0320% (0.32   1.0   0.02   0.11) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.15 +/- 1.35   0.005% *  0.0293% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.62 +/- 1.66   0.001% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.77 +/- 0.53   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.50 +/- 1.23   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.68 +/- 1.66   0.002% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.89 +/- 0.75   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 23.8:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.03  99.655% * 99.8247% (0.57  10.0   4.03  23.76) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.24 +/- 0.29   0.255% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.06 +/- 1.38   0.077% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.42 +/- 0.90   0.013% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.75, residual support = 38.4:
      O   HN    THR   39 - HB    THR   39   2.67 +/- 0.26  99.677% * 99.6727% (0.97  10.0   3.75  38.36) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   7.25 +/- 0.36   0.272% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.19 +/- 1.81   0.047% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  15.68 +/- 1.02   0.003% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.80 +/- 1.52   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.29 +/- 1.24   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 23.8:
          HN    LEU   40 - HB    THR   39   3.81 +/- 0.24  99.343% * 99.9090% (0.98   3.92  23.76) =  99.999%  kept
          HN    GLY  101 - HB    THR   39   9.25 +/- 1.54   0.657% *  0.0910% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.595, support = 0.21, residual support = 0.209:
          HN    LEU   71 - QG2   THR   39   3.40 +/- 1.00  97.768% * 53.5647% (0.60   0.21   0.21) =  99.869%  kept
          HN    GLU- 114 - QB    ALA   91  11.06 +/- 2.54   1.396% *  3.4411% (0.40   0.02   0.02) =   0.092%
          HN    GLN  116 - QB    ALA   91  12.78 +/- 2.34   0.323% *  2.9323% (0.34   0.02   0.02) =   0.018%
          HN    THR  118 - QB    ALA   91  13.17 +/- 2.24   0.233% *  1.9875% (0.23   0.02   0.02) =   0.009%
          HN    PHE   60 - QB    ALA   91  12.53 +/- 1.55   0.131% *  1.1975% (0.14   0.02   0.02) =   0.003%
          HN    THR  118 - QG2   THR   39  17.25 +/- 2.30   0.029% *  4.2089% (0.49   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   THR   39  15.87 +/- 1.12   0.046% *  2.5359% (0.30   0.02   0.02) =   0.002%
          HN    GLN  116 - QG2   THR   39  19.05 +/- 2.05   0.013% *  6.2096% (0.72   0.02   0.02) =   0.002%
          HN    LEU   71 - QG2   THR   23  16.78 +/- 0.49   0.019% *  2.8656% (0.33   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   39  20.62 +/- 1.05   0.006% *  7.2870% (0.85   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  19.46 +/- 1.23   0.013% *  2.4115% (0.28   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  18.65 +/- 0.91   0.015% *  1.4230% (0.17   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  24.32 +/- 1.31   0.003% *  3.4845% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.70 +/- 1.15   0.003% *  4.0891% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.98 +/- 1.02   0.003% *  2.3618% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.38 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 = 3.7, residual support = 23.8:
          HN    LEU   40 - QG2   THR   39   2.69 +/- 0.50  99.998% * 99.4441% (0.66   3.70  23.76) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  19.24 +/- 0.63   0.001% *  0.3019% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  20.96 +/- 1.12   0.001% *  0.2540% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.602, support = 3.09, residual support = 13.5:
      O   HN    ALA   91 - QB    ALA   91   2.24 +/- 0.20  83.428% * 89.0314% (0.61  10.0   3.08  12.95) =  97.886%  kept
          HN    THR   39 - QG2   THR   39   3.32 +/- 0.60  15.914% * 10.0786% (0.38   1.0   3.63  38.36) =   2.114%  kept
          HN    TRP   27 - QG2   THR   23   5.37 +/- 0.32   0.492% *  0.0142% (0.10   1.0   0.02   1.94) =   0.000%
          HD1   TRP   87 - QB    ALA   91   8.85 +/- 0.68   0.026% *  0.1122% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.31 +/- 0.85   0.084% *  0.0260% (0.18   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.90 +/- 1.25   0.025% *  0.0366% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.00 +/- 1.72   0.003% *  0.0772% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.83 +/- 1.23   0.016% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  13.97 +/- 0.97   0.002% *  0.0640% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  16.93 +/- 1.01   0.001% *  0.1355% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  12.33 +/- 0.96   0.004% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  15.10 +/- 0.99   0.001% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  17.05 +/- 1.38   0.000% *  0.0530% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  16.19 +/- 2.23   0.001% *  0.0173% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.86 +/- 0.91   0.000% *  0.1175% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  16.57 +/- 1.73   0.001% *  0.0094% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.17 +/- 1.47   0.000% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.31 +/- 0.88   0.000% *  0.0420% (0.29   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  18.21 +/- 0.57   0.000% *  0.0124% (0.08   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.31 +/- 1.07   0.001% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.48 +/- 0.53   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.12 +/- 0.80   0.000% *  0.0551% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  17.90 +/- 0.94   0.000% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.30 +/- 1.49   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.04, residual support = 8.96:
          HN    MET   92 - QB    ALA   91   3.05 +/- 0.27  99.325% * 96.4940% (0.87   3.04   8.96) =  99.997%  kept
          HN    THR   46 - QB    ALA   91   8.51 +/- 0.83   0.267% *  0.7185% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 112 - QB    ALA   91  10.77 +/- 2.37   0.140% *  0.2500% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.39 +/- 0.88   0.049% *  0.3002% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   9.34 +/- 0.54   0.139% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  14.34 +/- 1.10   0.012% *  0.6358% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  11.23 +/- 0.82   0.050% *  0.0755% (0.10   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.93 +/- 2.01   0.009% *  0.1821% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  17.17 +/- 0.84   0.004% *  0.3393% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  17.20 +/- 1.11   0.004% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  22.31 +/- 0.86   0.001% *  0.3002% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.10 +/- 1.88   0.001% *  0.1181% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  33.74 +/- 1.99   0.000% *  0.3856% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  23.59 +/- 1.98   0.001% *  0.0405% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.52 +/- 1.85   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.671, support = 5.23, residual support = 73.6:
          HA    LEU   40 - QD2   LEU   40   2.64 +/- 0.47  60.594% * 56.0333% (0.61   6.08 103.90) =  66.987%  kept
          HA    LYS+  99 - QD2   LEU   40   3.06 +/- 0.71  39.300% * 42.5756% (0.80   3.50  12.23) =  33.012%  kept
          HA    LEU  123 - QD2   LEU   40  12.41 +/- 5.11   0.043% *  0.3011% (0.99   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU   40   8.96 +/- 0.81   0.039% *  0.2804% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.45 +/- 1.20   0.016% *  0.1249% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  16.13 +/- 1.83   0.002% *  0.2874% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.38 +/- 1.09   0.002% *  0.1362% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.41 +/- 1.72   0.002% *  0.1362% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.15 +/- 1.66   0.002% *  0.1249% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.974, support = 4.4, residual support = 101.6:
          HA    LEU   40 - QD1   LEU   40   3.79 +/- 0.33  64.651% * 93.2461% (0.99   4.49 103.90) =  97.537%  kept
          HA    LYS+  99 - QD1   LEU   40   4.54 +/- 0.98  33.332% *  4.5530% (0.31   0.70  12.23) =   2.455%  kept
          HA    LEU  123 - QD1   LEU   40  11.04 +/- 5.50   1.333% *  0.2542% (0.61   0.02   0.02) =   0.005%
          HA    GLU-  15 - QD1   LEU   40  10.78 +/- 0.91   0.143% *  0.3759% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.12 +/- 0.61   0.185% *  0.1879% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.66 +/- 0.82   0.149% *  0.1294% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.74 +/- 0.36   0.135% *  0.1294% (0.31   0.02   0.12) =   0.000%
          HA    PRO   58 - QD1   LEU   40  14.79 +/- 1.23   0.024% *  0.3869% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.40 +/- 1.22   0.016% *  0.3759% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  15.92 +/- 1.83   0.017% *  0.2040% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  15.37 +/- 0.78   0.016% *  0.1573% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.679, support = 0.379, residual support = 0.364:
        T HB3   HIS  122 - QD1   LEU   40   8.10 +/- 5.74  54.115% * 95.0697% (0.69 10.00   0.38   0.37) =  97.654%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.67 +/- 4.20  30.080% *  4.0372% (0.34  1.00   0.33   0.02) =   2.305%  kept
          QE    LYS+  74 - QD1   LEU   40  10.66 +/- 1.02  14.794% *  0.1275% (0.18  1.00   0.02   0.02) =   0.036%
          HB3   ASP-  78 - QD1   LEU   40  20.56 +/- 1.27   0.251% *  0.6531% (0.90  1.00   0.02   0.02) =   0.003%
          QB    CYS   50 - QD1   LEU   40  17.54 +/- 1.22   0.761% *  0.1124% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 13 structures by 3.10 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 = 0.927, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40  10.64 +/- 1.65  50.613% * 27.6510% (1.00   0.02   0.02) =  55.045%  kept
          QD    PHE   59 - QD1   LEU   40  11.29 +/- 1.78  41.533% * 23.0961% (0.84   0.02   0.02) =  37.729%  kept
          HD1   TRP   27 - QD1   LEU   40  14.85 +/- 1.21   7.095% * 23.0961% (0.84   0.02   0.02) =   6.445%  kept
          HH2   TRP   49 - QD1   LEU   40  22.01 +/- 2.16   0.759% * 26.1568% (0.95   0.02   0.02) =   0.781%  kept
    Distance limit 3.72 A violated in 20 structures by 5.63 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.942, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.87 +/- 1.11  60.189% * 27.6510% (1.00   0.02   0.02) =  64.360%  kept
          QD    PHE   59 - QD2   LEU   40  11.66 +/- 1.78  28.010% * 23.0961% (0.84   0.02   0.02) =  25.017%  kept
          HD1   TRP   27 - QD2   LEU   40  13.24 +/- 0.68  11.097% * 23.0961% (0.84   0.02   0.02) =   9.911%  kept
          HH2   TRP   49 - QD2   LEU   40  21.36 +/- 2.02   0.704% * 26.1568% (0.95   0.02   0.02) =   0.713%  kept
    Distance limit 3.54 A violated in 20 structures by 5.46 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.56, residual support = 19.8:
          HN    VAL   41 - QD2   LEU   40   2.42 +/- 0.54 100.000% *100.0000% (0.73   4.56  19.76) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.23, residual support = 8.98:
          HN    LEU   98 - QD2   LEU   40   2.70 +/- 0.55 100.000% *100.0000% (0.97   4.23   8.98) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 103.9:
      O   HN    LEU   40 - HB3   LEU   40   2.57 +/- 0.38  99.342% * 99.9683% (0.98  10.0   4.91 103.90) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   7.83 +/- 1.29   0.657% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  20.19 +/- 2.27   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  22.05 +/- 2.07   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.75, residual support = 103.9:
      O   HN    LEU   40 - HB2   LEU   40   2.40 +/- 0.31  99.961% * 99.9908% (0.76  10.0   4.75 103.90) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.77 +/- 1.28   0.039% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 36.7:
          QG2   VAL   70 - HB2   LEU   40   3.32 +/- 0.48  83.304% * 99.9538% (0.80   3.99  36.69) =  99.991%  kept
          QG2   VAL   70 - HB2   LEU   67   4.81 +/- 1.04  16.696% *  0.0462% (0.07   0.02   0.02) =   0.009%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.7:
        T QG2   VAL   70 - HB3   LEU   40   2.57 +/- 0.98  99.913% * 99.8828% (0.98 10.00   3.99  36.69) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  13.55 +/- 1.85   0.087% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.234, support = 4.91, residual support = 96.4:
      O T HA    LEU   40 - HG    LEU   40   3.08 +/- 0.50  60.166% * 67.3723% (0.18  10.0 10.00   5.28 103.90) =  91.979%  kept
          HA    LYS+  99 - HG    LEU   40   4.11 +/- 1.53  26.680% * 11.2467% (0.98   1.0  1.00   0.60  12.23) =   6.809%  kept
          HA    ILE   56 - HG    LEU  115   6.14 +/- 1.83   8.262% *  3.2497% (0.50   1.0  1.00   0.34   0.21) =   0.609%  kept
          HA    ASP- 113 - HG    LEU  115   6.43 +/- 1.45   2.531% * 10.3603% (0.53   1.0  1.00   1.01   0.02) =   0.595%  kept
        T HA    ASN   35 - HG    LEU   40  10.64 +/- 0.68   0.051% *  3.4501% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HA    PHE   59 - HG    LEU  115   6.81 +/- 1.27   1.885% *  0.0760% (0.20   1.0  1.00   0.02  30.00) =   0.003%
          HA    LEU  123 - HG    LEU   40  14.87 +/- 6.27   0.075% *  0.2940% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  10.47 +/- 0.84   0.064% *  0.0703% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.29 +/- 1.20   0.016% *  0.1702% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   8.93 +/- 1.00   0.209% *  0.0126% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  11.71 +/- 1.30   0.033% *  0.0643% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  19.94 +/- 3.17   0.003% *  0.3901% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  16.44 +/- 1.55   0.006% *  0.1312% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  26.97 +/- 3.09   0.000% *  1.9975% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  19.98 +/- 2.32   0.002% *  0.3337% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.39 +/- 2.20   0.002% *  0.3551% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  20.31 +/- 3.13   0.002% *  0.2183% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  19.89 +/- 4.89   0.004% *  0.0548% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  18.74 +/- 2.17   0.003% *  0.0622% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  16.77 +/- 1.93   0.006% *  0.0245% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  22.79 +/- 2.66   0.001% *  0.0662% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 6.37, residual support = 36.5:
        T QG2   VAL   70 - HG    LEU   40   3.02 +/- 0.85  97.273% * 85.7194% (0.98 10.00   6.40  36.69) =  99.559%  kept
        T QG2   VAL   70 - HG    LEU   73   6.69 +/- 0.85   2.680% * 13.7844% (0.18 10.00   1.73   0.02) =   0.441%
        T QG2   VAL   70 - HG    LEU  115  14.14 +/- 2.52   0.047% *  0.4963% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 36.7:
          QG2   VAL   70 - QD1   LEU   40   2.20 +/- 0.60 100.000% *100.0000% (0.80   3.47  36.69) = 100.000%  kept
    Distance limit 2.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.49, residual support = 36.7:
          QG2   VAL   70 - QD2   LEU   40   2.87 +/- 0.84 100.000% *100.0000% (0.53   4.49  36.69) = 100.000%  kept
    Distance limit 3.15 A violated in 1 structures by 0.20 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   9.44 +/- 0.77 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.56 A violated in 20 structures by 6.89 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.728, support = 4.63, residual support = 103.9:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  74.238% * 41.4375% (0.65  10.0 10.00   4.13 103.90) =  67.717%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.68 +/- 0.48  25.529% * 57.4464% (0.90  10.0  1.00   5.67 103.90) =  32.283%  kept
        T HG    LEU   73 - QD2   LEU   40   7.26 +/- 1.05   0.063% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU   40   7.72 +/- 1.71   0.082% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.41 +/- 1.63   0.076% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  14.04 +/- 2.72   0.002% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  11.67 +/- 0.82   0.003% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  11.36 +/- 2.87   0.006% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.48 +/- 1.97   0.001% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.247, support = 2.17, residual support = 12.2:
        T HB3   LYS+  99 - QD2   LEU   40   3.32 +/- 1.28  60.878% * 43.1935% (0.22 10.00   1.91  12.23) =  55.414%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.63 +/- 0.70  37.435% * 56.5128% (0.28 10.00   2.49  12.23) =  44.583%  kept
          HB    VAL   43 - QD2   LEU   40   7.38 +/- 0.72   1.621% *  0.0763% (0.38  1.00   0.02   0.02) =   0.003%
          HB    ILE   89 - QD2   LEU   40  14.64 +/- 1.08   0.018% *  0.1233% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  12.62 +/- 1.33   0.044% *  0.0314% (0.15  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  18.73 +/- 0.81   0.004% *  0.0627% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.29, support = 0.02, residual support = 0.276:
          HB2   HIS  122 - QD2   LEU   40   8.95 +/- 5.40  62.935% * 19.5836% (0.31   0.02   0.37) =  72.553%  kept
          HA    LEU   63 - QD2   LEU   40   9.77 +/- 1.20  34.776% * 11.1120% (0.18   0.02   0.02) =  22.748%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.84 +/- 1.94   1.328% * 35.9222% (0.57   0.02   0.02) =   2.808%  kept
          HB2   HIS   22 - QD2   LEU   40  17.44 +/- 0.82   0.962% * 33.3822% (0.53   0.02   0.02) =   1.891%  kept
    Distance limit 3.49 A violated in 17 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.56, residual support = 12.2:
          QE    LYS+  99 - QD2   LEU   40   3.64 +/- 0.91  94.258% * 98.4509% (0.69   3.56  12.23) =  99.951%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.36 +/- 1.22   4.999% *  0.8055% (1.00   0.02   0.02) =   0.043%
          QE    LYS+  38 - QD2   LEU   40   9.36 +/- 1.21   0.742% *  0.7436% (0.92   0.02   0.02) =   0.006%
    Distance limit 3.90 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.837, support = 1.09, residual support = 1.44:
        T HB3   PHE   97 - QD2   LEU   40   3.73 +/- 1.29  90.642% * 90.0914% (0.84 10.00   1.09   1.45) =  98.980%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.00 +/- 0.70   8.900% *  9.4509% (0.99  1.00   0.96   0.02) =   1.019%  kept
          QG    GLN   32 - QD2   LEU   40  11.78 +/- 0.80   0.378% *  0.0676% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.22 +/- 2.28   0.031% *  0.1875% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.68 +/- 0.92   0.028% *  0.1282% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.64 +/- 1.21   0.021% *  0.0744% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 2 structures by 0.21 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 103.9:
      O T HB2   LEU   40 - QD1   LEU   40   2.52 +/- 0.41  98.771% * 99.2435% (0.84  10.0 10.00   4.44 103.90) =  99.995%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.43 +/- 1.08   1.006% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HB3   MET   96 - QD1   LEU   40   9.30 +/- 1.10   0.177% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.44 +/- 1.25   0.040% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.53 +/- 0.94   0.004% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  20.18 +/- 1.59   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 103.9:
      O   HB2   LEU   40 - QD2   LEU   40   2.77 +/- 0.44  98.885% * 96.6350% (0.34  10.0  1.00   5.44 103.90) =  99.972%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.68 +/- 1.45   1.031% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.027%
          HB    VAL   18 - QD2   LEU   40  10.65 +/- 1.46   0.069% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.95 +/- 2.00   0.011% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.11 +/- 1.88   0.002% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.78 +/- 1.12   0.002% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.756, support = 4.45, residual support = 103.9:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.02  63.695% * 41.4524% (0.65  10.0  1.00   4.30 103.90) =  56.385%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.37 +/- 0.28  35.533% * 57.4671% (0.90  10.0 10.00   4.66 103.90) =  43.608%  kept
        T HG    LEU   67 - QD1   LEU   40   6.39 +/- 1.75   0.702% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   LEU  115 - QD1   LEU   40  13.30 +/- 1.94   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40  10.71 +/- 3.02   0.009% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.20 +/- 1.52   0.041% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40   9.78 +/- 1.53   0.015% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  13.83 +/- 2.70   0.002% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  12.13 +/- 1.17   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.975, support = 4.44, residual support = 102.7:
      O T QD1   LEU   40 - HB2   LEU   40   2.52 +/- 0.41  74.190% * 92.1745% (1.00  10.0 10.00   4.44 103.90) =  97.296%  kept
      O   QD2   LEU   67 - HB2   LEU   67   3.12 +/- 0.17  24.929% *  7.6201% (0.08  10.0  1.00   4.26  58.47) =   2.703%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.43 +/- 1.08   0.521% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB2   LEU   40   7.38 +/- 1.49   0.352% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  16.84 +/- 1.51   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  16.40 +/- 2.74   0.007% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.66, residual support = 103.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.37 +/- 0.28  98.421% * 99.7412% (1.00  10.0 10.00   4.66 103.90) =  99.999%  kept
          QD2   LEU   67 - HB3   LEU   40   6.84 +/- 1.63   1.362% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU  115   9.06 +/- 1.54   0.201% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  13.30 +/- 1.94   0.006% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  13.31 +/- 2.39   0.009% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.53 +/- 1.56   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.13, residual support = 103.9:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  89.517% * 96.1741% (0.87  10.0 10.00   4.13 103.90) =  99.996%  kept
        T QD1   LEU   67 - HG    LEU   40   7.18 +/- 1.46   0.158% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HG    LEU  115   4.08 +/- 1.06   7.185% *  0.0112% (0.10   1.0  1.00   0.02   9.73) =   0.001%
          QG2   ILE  103 - HG    LEU   40   8.20 +/- 1.38   0.501% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   7.26 +/- 1.05   0.079% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.66 +/- 1.30   2.083% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.00 +/- 1.50   0.295% *  0.0194% (0.18   1.0  1.00   0.02   1.36) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.01 +/- 1.78   0.031% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  12.78 +/- 2.05   0.003% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  14.04 +/- 2.72   0.002% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.81 +/- 0.81   0.050% *  0.0179% (0.16   1.0  1.00   0.02   0.50) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.01 +/- 1.48   0.001% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  12.39 +/- 3.65   0.020% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.66 +/- 1.99   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.69 +/- 3.61   0.055% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.39 +/- 0.47   0.012% *  0.0125% (0.11   1.0  1.00   0.02  39.10) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.41 +/- 1.35   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.72 +/- 2.23   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.47 +/- 1.06   0.004% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.38 +/- 3.16   0.001% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.30 +/- 2.73   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.866, support = 3.99, residual support = 74.3:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.07  74.659% * 97.4050% (0.87  10.0 10.00   3.99  74.43) =  99.888%  kept
        T QD1   LEU   73 - QG1   VAL   41   3.28 +/- 1.43  22.732% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.108%
          QD2   LEU   98 - QG1   VAL   41   4.23 +/- 0.70   1.965% *  0.0771% (0.69   1.0  1.00   0.02  18.27) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   6.15 +/- 1.03   0.211% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   41 - QG2   VAL   18   8.51 +/- 0.88   0.020% *  0.7444% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   6.51 +/- 1.10   0.138% *  0.0770% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.35 +/- 0.50   0.040% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.29 +/- 0.97   0.145% *  0.0414% (0.04   1.0 10.00   0.02   6.13) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.73 +/- 1.04   0.008% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.82 +/- 1.09   0.031% *  0.0523% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.54 +/- 1.49   0.011% *  0.1007% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.06 +/- 1.35   0.007% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.23 +/- 0.91   0.006% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  10.72 +/- 0.81   0.004% *  0.0771% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.13 +/- 1.23   0.008% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.08 +/- 0.82   0.006% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.97 +/- 1.68   0.010% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.99 +/- 1.03   0.000% *  0.0414% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.45, residual support = 9.42:
          QB    ALA   34 - QG2   VAL   41   2.89 +/- 0.55  99.388% * 83.6477% (0.18   1.45   9.42) =  99.983%  kept
          QG2   THR   77 - QG2   VAL   41  10.73 +/- 1.01   0.076% *  6.2455% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+  99 - QG2   VAL   41   8.00 +/- 1.18   0.341% *  1.3066% (0.20   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   VAL   41   9.31 +/- 0.80   0.104% *  1.8357% (0.28   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   41  12.20 +/- 1.12   0.044% *  4.0045% (0.61   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   VAL   41  11.38 +/- 0.66   0.046% *  2.9600% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.59, residual support = 18.1:
        T QB    LEU   98 - QG2   VAL   41   3.26 +/- 1.52  49.551% * 94.8436% (0.34 10.00   2.62  18.27) =  98.879%  kept
          HG    LEU   73 - QG2   VAL   41   3.46 +/- 1.38  47.748% *  1.0998% (0.31  1.00   0.26   0.02) =   1.105%  kept
          HG12  ILE   19 - QG2   VAL   41   6.62 +/- 1.22   2.436% *  0.2774% (1.00  1.00   0.02   0.02) =   0.014%
        T HB2   LEU   80 - QG2   VAL   41  11.02 +/- 0.82   0.024% *  2.2264% (0.80 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   41   9.17 +/- 0.83   0.069% *  0.1686% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   VAL   41   9.51 +/- 0.96   0.061% *  0.1910% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  10.87 +/- 0.86   0.022% *  0.2683% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  11.78 +/- 0.89   0.016% *  0.2322% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.84 +/- 1.75   0.045% *  0.0619% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  14.34 +/- 1.76   0.007% *  0.2725% (0.98  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  14.50 +/- 3.70   0.008% *  0.1799% (0.65  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.02 +/- 1.23   0.007% *  0.1353% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.34 +/- 1.67   0.006% *  0.0429% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 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  11.10 +/- 1.09 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.95 A violated in 20 structures by 8.15 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 74.4:
      O   HN    VAL   41 - HB    VAL   41   2.78 +/- 0.54 100.000% *100.0000% (0.47  10.0   4.37  74.43) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.94, support = 0.02, residual support = 17.6:
          HN    LEU   98 - QG1   VAL   41   5.48 +/- 0.89  54.743% * 55.0073% (0.98   0.02  18.27) =  94.911%  kept
          HN    LEU   98 - QD2   LEU  104   5.70 +/- 0.90  44.547% *  2.9546% (0.05   0.02   6.13) =   4.148%  kept
          HN    LEU   98 - QG2   VAL   18  11.43 +/- 0.83   0.710% * 42.0381% (0.75   0.02   0.02) =   0.941%  kept
    Distance limit 3.67 A violated in 15 structures by 1.12 A, eliminated.
    Peak unassigned.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.40 +/- 1.29  58.501% * 34.1212% (0.66   0.02   0.02) =  69.229%  kept
          HN    LYS+  66 - HB    VAL   41  15.36 +/- 0.99  18.416% * 29.5320% (0.57   0.02   0.02) =  18.862%  kept
          QE    PHE   59 - HB    VAL   41  16.64 +/- 3.50  17.767% * 12.0603% (0.23   0.02   0.02) =   7.431%  kept
          HN    LYS+  81 - HB    VAL   41  18.66 +/- 1.12   5.316% * 24.2865% (0.47   0.02   0.02) =   4.477%  kept
    Distance limit 3.61 A violated in 20 structures by 7.66 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.2, residual support = 24.5:
      O   HN    VAL   42 - HA    VAL   41   2.20 +/- 0.02  99.350% * 99.8070% (0.98  10.0   5.20  24.50) =  99.999%  kept
          HN    LEU   73 - HA    VAL   41   5.38 +/- 0.75   0.596% *  0.0998% (0.98   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HA    VAL   41   8.00 +/- 0.71   0.051% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.23 +/- 1.17   0.003% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.0, residual support = 36.9:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.02 100.000% * 99.9765% (0.90  10.0   5.00  36.93) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.10 +/- 1.60   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.364, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.92 +/- 1.09  98.197% * 16.0745% (0.34   0.02   0.02) =  95.614%  kept
          QG2   VAL   83 - QG2   VAL   41   8.11 +/- 1.56   1.287% * 37.7342% (0.80   0.02   0.02) =   2.942%  kept
          QD1   ILE   89 - QG2   VAL   41   8.78 +/- 0.83   0.516% * 46.1912% (0.98   0.02   0.02) =   1.444%  kept
    Distance limit 2.93 A violated in 4 structures by 0.44 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 = 0.8, support = 0.0198, residual support = 22.0:
        T HB    VAL   41 - HB    VAL   42   6.39 +/- 0.39  38.414% * 26.8420% (0.84 10.00   0.02  24.50) =  89.263%  kept
          HB2   LEU   71 - HB    VAL   42   6.55 +/- 1.01  36.187% *  1.3538% (0.42  1.00   0.02   2.24) =   4.241%  kept
        T QB    LYS+ 102 - HB    VAL   42  11.73 +/- 1.16   1.568% * 17.9927% (0.56 10.00   0.02   0.02) =   2.442%  kept
          QB    LYS+  66 - HB    VAL   42   9.39 +/- 1.07   4.969% *  2.7752% (0.87  1.00   0.02   0.02) =   1.194%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.91 +/- 2.08   6.800% *  1.7026% (0.53  1.00   0.02   0.02) =   1.002%  kept
          HG12  ILE  103 - HB    VAL   42  10.29 +/- 1.52   3.544% *  2.4126% (0.75  1.00   0.02   0.02) =   0.740%  kept
          HB3   PRO   52 - HB2   LYS+ 112  11.70 +/- 3.05   3.598% *  1.1905% (0.37  1.00   0.02   0.02) =   0.371%
          QB    LYS+  65 - HB    VAL   42  10.71 +/- 0.78   1.972% *  1.4633% (0.46  1.00   0.02   0.02) =   0.250%
          QB    LYS+  66 - HB2   LYS+ 112  14.56 +/- 2.15   0.998% *  1.9585% (0.61  1.00   0.02   0.02) =   0.169%
          HG    LEU  123 - HB    VAL   42  15.13 +/- 3.92   0.644% *  1.6870% (0.53  1.00   0.02   0.02) =   0.094%
          HG2   PRO   93 - HB    VAL   42  15.28 +/- 1.52   0.395% *  2.4126% (0.75  1.00   0.02   0.02) =   0.082%
          HG    LEU  123 - HB2   LYS+ 112  13.73 +/- 1.54   0.493% *  1.1905% (0.37  1.00   0.02   0.02) =   0.051%
        T HB    VAL   41 - HB2   LYS+ 112  24.00 +/- 2.37   0.021% * 18.9430% (0.59 10.00   0.02   0.02) =   0.035%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.78 +/- 1.83   0.026% * 12.6979% (0.40 10.00   0.02   0.02) =   0.029%
          QB    LYS+  65 - HB2   LYS+ 112  15.80 +/- 1.85   0.265% *  1.0327% (0.32  1.00   0.02   0.02) =   0.024%
          HB3   PRO   52 - HB    VAL   42  20.26 +/- 1.26   0.042% *  1.6870% (0.53  1.00   0.02   0.02) =   0.006%
          HG12  ILE  103 - HB2   LYS+ 112  21.90 +/- 2.06   0.038% *  1.7026% (0.53  1.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - HB2   LYS+ 112  24.34 +/- 3.63   0.025% *  0.9554% (0.30  1.00   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 19 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.28, residual support = 86.6:
          HN    VAL   42 - QG2   VAL   42   2.74 +/- 0.39  93.831% * 76.7974% (0.64   5.33  87.78) =  98.614%  kept
          HN    LEU   73 - QG2   VAL   42   4.96 +/- 0.81   4.411% * 22.8512% (0.64   1.59   1.12) =   1.380%  kept
          HN    LYS+ 106 - QG2   VAL   42   7.79 +/- 1.32   1.492% *  0.2883% (0.64   0.02   0.02) =   0.006%
          HN    ILE   19 - QG2   VAL   42   7.49 +/- 0.98   0.265% *  0.0630% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.13, residual support = 36.9:
          HN    VAL   43 - QG2   VAL   42   3.94 +/- 0.25 100.000% *100.0000% (0.72   5.13  36.93) = 100.000%  kept
    Distance limit 3.78 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 = 0.965, support = 4.0, residual support = 87.8:
      O T HA    VAL   42 - QG1   VAL   42   2.48 +/- 0.16  90.995% * 96.7288% (0.97  10.0 10.00   4.00  87.78) =  99.995%  kept
          HA    THR   46 - QB    ALA   47   3.87 +/- 0.10   6.781% *  0.0439% (0.44   1.0  1.00   0.02  12.66) =   0.003%
          HA    GLN   90 - QB    ALA   47   7.42 +/- 1.67   1.972% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   8.74 +/- 0.90   0.066% *  0.5867% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47   9.59 +/- 0.80   0.032% *  0.4729% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.66 +/- 2.80   0.092% *  0.0232% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  14.36 +/- 1.54   0.003% *  0.5476% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.79 +/- 0.48   0.002% *  0.8353% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.80 +/- 0.36   0.027% *  0.0509% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.39 +/- 1.13   0.001% *  0.5067% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  11.31 +/- 1.75   0.019% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.72 +/- 1.31   0.005% *  0.0363% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  14.16 +/- 0.38   0.003% *  0.0587% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.81 +/- 0.54   0.000% *  0.0507% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.861, support = 0.02, residual support = 0.899:
          QD    PHE   60 - QG1   VAL   42   5.00 +/- 1.43  65.705% * 18.3095% (0.93   0.02   1.15) =  77.499%  kept
          QE    PHE   59 - QG1   VAL   42   8.25 +/- 2.95  17.102% *  6.4716% (0.33   0.02   0.02) =   7.130%  kept
          QD    PHE   60 - QB    ALA   47   8.70 +/- 1.29   6.973% * 15.8117% (0.80   0.02   0.02) =   7.103%  kept
          HN    LYS+  66 - QG1   VAL   42   8.20 +/- 1.07   6.180% * 15.8469% (0.81   0.02   0.02) =   6.309%  kept
          QE    PHE   59 - QB    ALA   47  11.72 +/- 2.02   2.717% *  5.5887% (0.28   0.02   0.02) =   0.978%  kept
          HN    LYS+  81 - QB    ALA   47  10.54 +/- 1.39   1.151% * 11.2543% (0.57   0.02   0.02) =   0.835%  kept
          HN    LYS+  81 - QG1   VAL   42  15.36 +/- 0.53   0.102% * 13.0321% (0.66   0.02   0.02) =   0.086%
          HN    LYS+  66 - QB    ALA   47  17.32 +/- 1.24   0.070% * 13.6851% (0.70   0.02   0.02) =   0.062%
    Distance limit 2.96 A violated in 15 structures by 1.56 A, eliminated.
    Peak unassigned.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.99, residual support = 78.8:
          HN    VAL   42 - QG1   VAL   42   3.67 +/- 0.10  58.815% * 83.6522% (0.77   5.45  87.78) =  89.651%  kept
          HN    LEU   73 - QG1   VAL   42   4.05 +/- 0.60  37.512% * 15.1214% (0.77   0.99   1.12) =  10.336%  kept
          HN    LYS+ 106 - QG1   VAL   42   7.48 +/- 1.06   1.996% *  0.3067% (0.77   0.02   0.02) =   0.011%
          HN    ILE   19 - QG1   VAL   42   6.74 +/- 0.64   1.608% *  0.0671% (0.17   0.02   0.02) =   0.002%
          HN    LEU   73 - QB    ALA   47  13.45 +/- 0.49   0.026% *  0.2649% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.31 +/- 0.99   0.013% *  0.2649% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.82 +/- 0.37   0.010% *  0.2649% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.11 +/- 0.77   0.019% *  0.0579% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.13, residual support = 36.9:
          HN    VAL   43 - QG1   VAL   42   2.83 +/- 0.27  99.974% * 99.3944% (0.40   5.13  36.93) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.30 +/- 0.52   0.010% *  0.3346% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  14.10 +/- 1.34   0.009% *  0.1256% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  14.60 +/- 0.55   0.006% *  0.1454% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.431, support = 0.0199, residual support = 0.0199:
          HN    LEU  104 - QG1   VAL   42   7.31 +/- 1.05  99.446% * 53.6601% (0.43   0.02   0.02) =  99.521%  kept
          HN    LEU  104 - QB    ALA   47  18.09 +/- 1.13   0.554% * 46.3399% (0.37   0.02   0.02) =   0.479%
    Distance limit 3.70 A violated in 20 structures by 3.61 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.75, residual support = 15.9:
          HN    TRP   49 - QB    ALA   47   2.73 +/- 0.15  99.798% * 95.0829% (0.29   3.75  15.93) =  99.998%  kept
          HE22  GLN   30 - QG1   VAL   42   8.71 +/- 1.10   0.127% *  0.9135% (0.53   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG1   VAL   42  10.38 +/- 1.38   0.069% *  1.0508% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  15.87 +/- 1.33   0.003% *  1.1927% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.82 +/- 0.48   0.003% *  0.3883% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  23.11 +/- 1.55   0.000% *  1.3719% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.394, support = 2.34, residual support = 10.8:
      O   HN    ALA   47 - QB    ALA   47   2.38 +/- 0.14  81.675% * 93.4110% (0.39  10.0   2.36  10.97) =  98.513%  kept
          QD    PHE   95 - QG1   VAL   42   3.83 +/- 1.14  18.278% *  6.2982% (0.70   1.0   0.75   1.45) =   1.486%  kept
          QD    PHE   95 - QB    ALA   47   8.92 +/- 0.92   0.041% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.79 +/- 0.44   0.006% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.677, support = 0.698, residual support = 11.1:
        T HB3   LEU   73 - QG1   VAL   43   3.70 +/- 1.68  61.530% * 39.3049% (0.69 10.00   0.40   9.17) =  92.438%  kept
          HB    VAL   42 - QG1   VAL   43   5.23 +/- 0.22   4.354% * 41.0241% (0.62  1.00   4.59  36.93) =   6.828%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.86 +/- 0.22   0.765% * 17.7531% (0.34  1.00   3.64  15.23) =   0.519%  kept
          HG    LEU   98 - QG1   VAL   43   4.57 +/- 1.31  32.192% *  0.1683% (0.58  1.00   0.02   0.02) =   0.207%
          HG3   LYS+ 106 - QG1   VAL   43   8.41 +/- 0.92   0.394% *  0.2461% (0.85  1.00   0.02   0.02) =   0.004%
          QB    ALA   84 - QG1   VAL   43   8.55 +/- 0.81   0.245% *  0.1989% (0.69  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QG1   VAL   43   9.45 +/- 0.94   0.135% *  0.1578% (0.54  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   43  10.89 +/- 1.10   0.061% *  0.2084% (0.72  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG1   VAL   43   8.48 +/- 0.88   0.208% *  0.0515% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG1   VAL   43  11.59 +/- 1.03   0.038% *  0.2084% (0.72  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG1   VAL   43  10.74 +/- 0.99   0.054% *  0.0723% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   43  14.31 +/- 1.20   0.008% *  0.1787% (0.62  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.68 +/- 1.91   0.005% *  0.2257% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG1   VAL   43  16.24 +/- 2.83   0.005% *  0.1369% (0.47  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.16 +/- 1.30   0.006% *  0.0649% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 5 structures by 0.53 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.269, support = 1.42, residual support = 5.52:
        T HH2   TRP   27 - QG1   VAL   43   2.52 +/- 0.71  49.483% * 55.0875% (0.31 10.00   1.34   5.52) =  54.575%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.52 +/- 0.72  50.517% * 44.9125% (0.22 10.00   1.50   5.52) =  45.425%  kept
    Distance limit 2.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 4.91, residual support = 59.3:
          HN    VAL   43 - QG1   VAL   43   2.38 +/- 0.40 100.000% *100.0000% (0.80   4.91  59.35) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.385, support = 3.67, residual support = 15.3:
          HN    ASP-  44 - QG2   VAL   43   2.83 +/- 0.28  90.218% * 82.7542% (0.39   3.71  15.23) =  98.200%  kept
          HN    ASN   28 - QD2   LEU   31   4.65 +/- 0.95   8.803% * 15.5100% (0.18   1.49  17.65) =   1.796%  kept
          HN    ASN   28 - QG2   VAL   43   7.43 +/- 0.34   0.345% *  0.7278% (0.63   0.02   0.02) =   0.003%
          HN    ASP-  44 - QD2   LEU   31   7.56 +/- 0.82   0.402% *  0.1281% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43   9.90 +/- 0.40   0.057% *  0.4148% (0.36   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD2   LEU   31   8.47 +/- 0.93   0.156% *  0.1190% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.85 +/- 0.50   0.008% *  0.2689% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.76 +/- 1.45   0.011% *  0.0772% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.21, residual support = 59.3:
      O   HN    VAL   43 - HB    VAL   43   2.67 +/- 0.30 100.000% *100.0000% (0.87  10.0   4.21  59.35) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.47 +/- 0.39 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.0:
        T QD    PHE   45 - HB3   ASP-  44   4.47 +/- 0.07 100.000% *100.0000% (0.80 10.00   4.41  19.03) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.72 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.63 +/- 0.20  99.968% * 99.8560% (0.98  10.0   3.71  37.79) = 100.000%  kept
          HN    ASN   28 - HB3   ASP-  44  14.86 +/- 0.67   0.022% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   ASP-  44  17.02 +/- 0.88   0.010% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.12:
          HA    LYS+  74 - HB2   ASP-  44   3.29 +/- 0.60  99.866% * 92.3790% (0.92  1.00   2.10   6.12) =  99.989%  kept
        T HA    MET   92 - HB2   ASP-  44  11.06 +/- 0.98   0.134% *  7.6210% (0.80 10.00   0.02   0.02) =   0.011%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 37.8:
      O   HN    ASP-  44 - HB2   ASP-  44   2.64 +/- 0.24  99.992% * 99.8560% (0.98  10.0   3.03  37.79) = 100.000%  kept
          HN    ASN   28 - HB2   ASP-  44  13.78 +/- 0.69   0.006% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   ASP-  44  16.01 +/- 0.74   0.002% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.501, support = 3.9, residual support = 28.8:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  19.238% * 81.9551% (0.80  10.0   3.77  37.79) =  52.137%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.30 +/- 0.02  80.750% * 17.9245% (0.18  10.0   4.04  19.03) =  47.863%  kept
          HN    ALA  110 - HA    ASP-  44  11.06 +/- 2.07   0.011% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  16.19 +/- 0.54   0.001% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.66:
          HA    PHE   95 - HA    ASP-  44   2.31 +/- 0.41 100.000% *100.0000% (0.87   2.00   4.66) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.41 +/- 0.38  99.874% * 98.9931% (0.65 10.00   2.96  27.15) = 100.000%  kept
          QB    SER   48 - HB2   PHE   45   9.92 +/- 0.93   0.047% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  10.90 +/- 0.94   0.019% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.75 +/- 1.30   0.020% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  10.10 +/- 0.65   0.031% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.68 +/- 1.01   0.004% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.21 +/- 1.21   0.001% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.87 +/- 1.32   0.002% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.39 +/- 1.76   0.000% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.40 +/- 0.97   0.000% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.75 +/- 1.79   0.000% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.08 +/- 0.66   0.000% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.44:
          QG2   THR   77 - HB2   PHE   45   3.59 +/- 0.91  96.496% * 94.3279% (0.45   1.84   8.44) =  99.970%  kept
          QG2   ILE   56 - HB2   PHE   45   8.26 +/- 1.70   1.975% *  1.0281% (0.45   0.02   0.02) =   0.022%
          QB    ALA   88 - HB2   PHE   45   8.92 +/- 0.79   1.404% *  0.3538% (0.15   0.02   0.02) =   0.005%
          QG2   THR   23 - HB2   PHE   45  13.15 +/- 0.70   0.065% *  2.1692% (0.95   0.02   0.02) =   0.002%
          QB    ALA   34 - HB2   PHE   45  14.32 +/- 0.37   0.057% *  1.4834% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  23.96 +/- 1.20   0.002% *  0.6376% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.30 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 12.1:
        T QG2   ILE   89 - HB2   PHE   45   2.95 +/- 0.58  99.793% * 99.8023% (1.00 10.00   0.75  12.06) = 100.000%  kept
          QG1   VAL   83 - HB2   PHE   45   9.10 +/- 0.89   0.195% *  0.1510% (0.57  1.00   0.02   1.02) =   0.000%
          QD1   LEU  104 - HB2   PHE   45  14.92 +/- 0.99   0.012% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.44:
          QG2   THR   77 - HB3   PHE   45   2.73 +/- 0.71  99.135% * 96.7442% (0.87   2.25   8.44) =  99.995%  kept
          QB    ALA   88 - HB3   PHE   45   9.20 +/- 0.68   0.344% *  0.9826% (0.99   0.02   0.02) =   0.004%
          HB3   LEU   80 - HB3   PHE   45   8.15 +/- 1.33   0.492% *  0.1962% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB3   PHE   45  14.94 +/- 2.31   0.015% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.85 +/- 0.85   0.011% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.46 +/- 0.95   0.002% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.17 +/- 0.81   0.001% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 12.1:
        T QG2   ILE   89 - HB3   PHE   45   2.92 +/- 0.67 100.000% *100.0000% (0.69 10.00   0.75  12.06) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 80.5:
      O   QD    PHE   45 - HB2   PHE   45   2.65 +/- 0.04  99.995% * 99.6976% (0.65  10.0   4.22  80.46) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.72 +/- 2.10   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.63 +/- 2.33   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.85 +/- 1.20   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.68, residual support = 80.5:
      O   HN    PHE   45 - HB2   PHE   45   2.62 +/- 0.41  99.340% * 99.8082% (0.73  10.0   3.68  80.46) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.46 +/- 0.17   0.593% *  0.0306% (0.22   1.0   0.02  19.03) =   0.000%
          HN    ALA  110 - HB2   PHE   45  10.14 +/- 2.28   0.063% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.73 +/- 0.65   0.004% *  0.0343% (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 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 80.5:
      O   QD    PHE   45 - HB3   PHE   45   2.32 +/- 0.11  99.998% * 99.6976% (0.65  10.0   4.93  80.46) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.68 +/- 2.14   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.66 +/- 2.23   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.73 +/- 1.21   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 80.5:
      O   HN    PHE   45 - HB3   PHE   45   3.42 +/- 0.43  97.843% * 99.8082% (0.73  10.0   4.01  80.46) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.67 +/- 0.22   2.001% *  0.0306% (0.22   1.0   0.02  19.03) =   0.001%
          HN    ALA  110 - HB3   PHE   45  11.17 +/- 2.42   0.135% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  14.78 +/- 0.90   0.020% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.18, residual support = 3.92:
          HA    ASP-  76 - QG2   THR   46   3.39 +/- 0.79 100.000% *100.0000% (0.41   1.18   3.92) = 100.000%  kept
    Distance limit 3.28 A violated in 3 structures by 0.39 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   2.42 +/- 0.36  99.650% * 97.6985% (0.76   3.39  34.51) =  99.998%  kept
          HN    LYS+  74 - QG2   THR   46   7.13 +/- 0.83   0.246% *  0.7550% (1.00   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   46   8.21 +/- 0.88   0.098% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  13.88 +/- 1.89   0.006% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  26.11 +/- 1.82   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 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   3.14 +/- 0.67  95.887% * 97.9525% (0.25   3.21  12.66) =  99.910%  kept
          QD    PHE   95 - QG2   THR   46   7.29 +/- 1.44   4.113% *  2.0475% (0.84   0.02   0.02) =   0.090%
    Distance limit 3.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.302, support = 0.821, residual support = 0.617:
          QB    CYS   50 - QG2   THR   46   4.52 +/- 1.45  38.941% * 76.6432% (0.31   0.99   0.77) =  79.292%  kept
          QE    LYS+  74 - QG2   THR   46   3.77 +/- 1.30  60.711% * 12.8129% (0.28   0.18   0.02) =  20.667%  kept
          HB2   PHE   72 - QG2   THR   46   9.75 +/- 0.90   0.278% *  5.0198% (1.00   0.02   0.02) =   0.037%
          HA    ALA   64 - QG2   THR   46  11.91 +/- 1.32   0.066% *  2.0683% (0.41   0.02   0.02) =   0.004%
          HB3   ASN   69 - QG2   THR   46  19.34 +/- 1.09   0.005% *  3.4558% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.49:
      O   HN    SER   48 - HA    SER   48   2.77 +/- 0.05  99.994% * 99.9333% (0.49  10.0   2.61   9.49) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.67 +/- 1.22   0.005% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.94 +/- 0.83   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.54, residual support = 9.49:
      O   HN    SER   48 - QB    SER   48   2.35 +/- 0.20  99.995% * 99.9496% (0.95  10.0   2.54   9.49) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.25 +/- 1.51   0.005% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.23 +/- 1.86   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.932, support = 3.99, residual support = 73.4:
      O   HN    TRP   49 - HB2   TRP   49   3.53 +/- 0.10  60.409% * 97.1639% (0.95  10.0   4.00  74.65) =  98.198%  kept
          HN    CYS   50 - HB2   TRP   49   3.81 +/- 0.59  39.590% *  2.7210% (0.15   1.0   3.43   2.72) =   1.802%  kept
          HE22  GLN   30 - HB2   TRP   49  23.70 +/- 1.67   0.001% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.41 +/- 1.82   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.79, residual support = 74.7:
      O   HD1   TRP   49 - HB2   TRP   49   3.83 +/- 0.08  99.974% * 99.6923% (0.80  10.0   3.79  74.65) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  17.23 +/- 3.06   0.018% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.53 +/- 2.03   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  25.66 +/- 1.39   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.86 +/- 1.26   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.0, residual support = 74.7:
      O   HN    TRP   49 - HB3   TRP   49   2.78 +/- 0.38  89.466% * 99.8654% (0.79  10.0   4.00  74.65) =  99.998%  kept
          HN    CYS   50 - HB3   TRP   49   4.07 +/- 0.26  10.534% *  0.0163% (0.13   1.0   0.02   2.72) =   0.002%
          HE22  GLN   30 - HB3   TRP   49  23.23 +/- 1.77   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.60 +/- 1.63   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 3.79, residual support = 74.7:
      O   HD1   TRP   49 - HB3   TRP   49   2.98 +/- 0.30  99.992% * 99.6923% (0.67  10.0   3.79  74.65) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  16.64 +/- 3.31   0.005% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.69 +/- 2.31   0.002% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.09 +/- 1.17   0.000% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.25 +/- 1.41   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 3.44:
          HB2   PRO   52 - HB3   TRP   49   9.22 +/- 1.11  98.677% * 45.9163% (0.72   0.02   3.47) =  99.216%  kept
          HB2   ASP-  62 - HB3   TRP   49  22.04 +/- 1.34   0.662% * 45.9163% (0.72   0.02   0.02) =   0.665%  kept
          HG2   MET   96 - HB3   TRP   49  22.24 +/- 1.43   0.661% *  8.1674% (0.13   0.02   0.02) =   0.118%
    Distance limit 3.79 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.48, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.60 +/- 0.44  48.641% * 16.1708% (0.47   0.02   0.02) =  49.233%  kept
          QG    GLU-  79 - HB3   TRP   49  14.26 +/- 2.13  27.733% * 13.9029% (0.41   0.02   0.02) =  24.134%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.13 +/- 2.81  18.691% * 16.1708% (0.47   0.02   0.02) =  18.918%  kept
          HB    VAL  107 - HB3   TRP   49  19.28 +/- 0.98   4.181% * 27.0190% (0.79   0.02   0.02) =   7.070%  kept
          QG    GLN   32 - HB3   TRP   49  28.32 +/- 1.62   0.389% * 22.8711% (0.67   0.02   0.02) =   0.557%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.44 +/- 2.06   0.365% *  3.8655% (0.11   0.02   0.02) =   0.088%
    Distance limit 3.85 A violated in 20 structures by 7.23 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 7.07:
          QB    ALA   47 - QB    CYS   50   3.55 +/- 0.45  99.755% * 98.8260% (0.65   3.63   7.07) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  11.99 +/- 1.51   0.108% *  0.5441% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  12.66 +/- 1.08   0.065% *  0.4425% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  13.28 +/- 2.08   0.071% *  0.1873% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 1.51, residual support = 7.91:
        T HB2   CYS   53 - QB    CYS   50   3.79 +/- 1.62  85.332% * 89.6500% (1.00 10.00   1.50   8.06) =  98.171%  kept
          HD3   PRO   52 - QB    CYS   50   5.43 +/- 1.23  14.145% * 10.0749% (0.73  1.00   2.32   0.02) =   1.829%  kept
          HD2   PRO   58 - QB    CYS   50   9.08 +/- 1.64   0.448% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  16.20 +/- 2.34   0.059% *  0.0493% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.28 +/- 1.81   0.014% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  20.71 +/- 1.23   0.002% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  26.15 +/- 1.22   0.001% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.2, residual support = 7.16:
      O   HN    CYS   50 - QB    CYS   50   2.93 +/- 0.27  92.391% * 85.4149% (0.80  10.0   1.18   7.22) =  98.625%  kept
          HN    TRP   49 - QB    CYS   50   4.50 +/- 0.21   7.598% * 14.4784% (0.65   1.0   2.48   2.72) =   1.375%  kept
          HN    VAL   83 - QB    CYS   50  15.33 +/- 1.58   0.009% *  0.0616% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  17.57 +/- 1.78   0.003% *  0.0450% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.985% * 97.0144% (0.87  10.0 10.00   2.81  10.15) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.32 +/- 0.93   0.014% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.64 +/- 1.23   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.84 +/- 1.70   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.11 +/- 1.13   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  23.41 +/- 3.03   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.80 +/- 1.40   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.75 +/- 2.67   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.64 +/- 1.45   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.08 +/- 1.92   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.971, support = 2.24, residual support = 23.4:
          HB3   CYS   53 - HB2   PRO   52   5.81 +/- 0.85   9.551% * 73.1704% (0.99   4.36  53.91) =  43.002%  kept
          HD3   PRO   93 - HB2   PRO   52   5.69 +/- 3.43  48.488% * 10.5427% (0.98   0.63   0.42) =  31.453%  kept
          QB    PHE   55 - HB2   PRO   52   4.64 +/- 0.28  36.485% * 10.7380% (0.92   0.69   0.41) =  24.106%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.62 +/- 1.54   5.260% *  4.4404% (0.97   0.27   1.75) =   1.437%  kept
          HB2   PHE   59 - HB2   PRO   52  11.90 +/- 1.56   0.108% *  0.2328% (0.69   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   MET   96  14.88 +/- 0.77   0.029% *  0.0976% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  15.72 +/- 1.66   0.030% *  0.0684% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.71 +/- 2.02   0.015% *  0.0987% (0.29   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.28 +/- 1.85   0.014% *  0.0961% (0.28   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  17.42 +/- 1.60   0.014% *  0.0919% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.75 +/- 2.10   0.001% *  0.3271% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  22.82 +/- 2.45   0.004% *  0.0961% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 0.912, residual support = 4.33:
        T HD3   PRO   93 - HB3   PRO   52   5.82 +/- 2.79  42.563% * 60.2468% (0.41 10.00   0.61   0.42) =  82.205%  kept
          QB    PHE   55 - HB3   PRO   52   4.56 +/- 0.53  47.418% *  6.8546% (0.53  1.00   0.54   0.41) =  10.420%  kept
          HB3   CYS   53 - HB3   PRO   52   6.29 +/- 0.86   7.825% * 29.1577% (0.25  1.00   4.86  53.91) =   7.314%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.75 +/- 1.40   1.952% *  0.9528% (0.20 10.00   0.02   1.75) =   0.060%
          HB2   PHE   59 - HB3   PRO   52  12.27 +/- 1.18   0.124% *  0.3855% (0.80  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB3   PRO   52  25.19 +/- 1.23   0.001% *  2.1586% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.16 +/- 1.38   0.052% *  0.0227% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  19.62 +/- 1.92   0.009% *  0.1093% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.88 +/- 1.72   0.039% *  0.0138% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  17.58 +/- 1.72   0.013% *  0.0291% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.22 +/- 1.28   0.004% *  0.0442% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  26.70 +/- 0.99   0.001% *  0.0248% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.302, support = 0.315, residual support = 0.176:
          HG2   LYS+ 102 - HG2   MET   96  10.94 +/- 1.53   4.359% * 45.2830% (0.29   0.55   0.30) =  56.177%  kept
          QB    ALA  110 - HB2   PRO   52   6.49 +/- 4.67  67.055% *  1.5747% (0.28   0.02   0.02) =  30.055%  kept
          HB3   LEU  115 - HB2   PRO   52  11.49 +/- 2.15   2.534% *  4.7308% (0.84   0.02   0.02) =   3.413%  kept
          HG    LEU   73 - HG2   MET   96  10.20 +/- 1.30   6.433% *  1.6057% (0.28   0.02   0.02) =   2.940%  kept
          HG    LEU   40 - HG2   MET   96   9.95 +/- 0.76   5.659% *  1.3897% (0.25   0.02   0.02) =   2.238%  kept
          HG    LEU  115 - HB2   PRO   52  11.50 +/- 2.12   4.335% *  1.5747% (0.28   0.02   0.02) =   1.943%  kept
          QB    ALA   61 - HB2   PRO   52  12.87 +/- 1.08   1.055% *  2.7569% (0.49   0.02   0.02) =   0.827%  kept
          QB    ALA  120 - HB2   PRO   52  16.20 +/- 2.36   1.252% *  1.5747% (0.28   0.02   0.02) =   0.561%  kept
          QB    ALA  110 - HG2   MET   96  12.90 +/- 1.32   2.330% *  0.4626% (0.08   0.02   0.02) =   0.307%
          HG    LEU   67 - HG2   MET   96  15.36 +/- 2.16   0.657% *  1.2081% (0.21   0.02   0.02) =   0.226%
          HB3   LEU  115 - HG2   MET   96  14.84 +/- 2.37   0.541% *  1.3897% (0.25   0.02   0.02) =   0.214%
          QG    LYS+  66 - HG2   MET   96  16.76 +/- 1.86   0.404% *  1.3897% (0.25   0.02   0.02) =   0.160%
          HB3   LEU   67 - HG2   MET   96  15.08 +/- 1.60   0.520% *  1.0763% (0.19   0.02   0.02) =   0.159%
          HG    LEU   73 - HB2   PRO   52  21.39 +/- 2.78   0.071% *  5.4659% (0.97   0.02   0.02) =   0.111%
          QG    LYS+  66 - HB2   PRO   52  19.21 +/- 1.45   0.083% *  4.7308% (0.84   0.02   0.02) =   0.111%
          HG    LEU   80 - HG2   MET   96  13.93 +/- 1.67   0.631% *  0.5135% (0.09   0.02   0.02) =   0.092%
          HG    LEU   80 - HB2   PRO   52  19.31 +/- 2.82   0.178% *  1.7481% (0.31   0.02   0.02) =   0.089%
          QB    ALA   61 - HG2   MET   96  15.21 +/- 0.97   0.304% *  0.8098% (0.14   0.02   0.02) =   0.070%
          HG    LEU  115 - HG2   MET   96  15.47 +/- 3.07   0.527% *  0.4626% (0.08   0.02   0.02) =   0.069%
          HG12  ILE   19 - HG2   MET   96  14.56 +/- 1.32   0.563% *  0.3704% (0.07   0.02   0.02) =   0.059%
          QB    ALA  120 - HG2   MET   96  15.27 +/- 2.20   0.372% *  0.4626% (0.08   0.02   0.02) =   0.049%
          HG    LEU   67 - HB2   PRO   52  22.89 +/- 2.36   0.032% *  4.1127% (0.73   0.02   0.02) =   0.038%
          HB3   LEU   67 - HB2   PRO   52  22.97 +/- 1.98   0.032% *  3.6639% (0.65   0.02   0.02) =   0.034%
          HG    LEU   40 - HB2   PRO   52  24.40 +/- 2.74   0.023% *  4.7308% (0.84   0.02   0.02) =   0.031%
          HG12  ILE   19 - HB2   PRO   52  22.86 +/- 2.36   0.042% *  1.2610% (0.22   0.02   0.02) =   0.015%
          HG2   LYS+ 102 - HB2   PRO   52  29.22 +/- 3.35   0.008% *  5.6512% (1.00   0.02   0.02) =   0.012%
    Distance limit 3.09 A violated in 12 structures by 2.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.669, support = 0.0199, residual support = 0.272:
          HB3   PRO   93 - HD2   PRO   52   8.23 +/- 2.02  71.075% *  5.3763% (0.65  1.00   0.02   0.42) =  62.796%  kept
          QB    ALA   84 - HD2   PRO   52  12.13 +/- 1.57   8.136% *  5.7087% (0.69  1.00   0.02   0.02) =   7.633%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.67 +/- 1.41   5.406% *  8.1462% (0.98  1.00   0.02   0.02) =   7.237%  kept
        T QB    ALA   88 - HD2   PRO   52  14.73 +/- 1.67   2.923% * 14.5547% (0.18 10.00   0.02   0.02) =   6.992%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.31 +/- 2.96   5.819% *  6.9417% (0.84  1.00   0.02   0.02) =   6.639%  kept
          QB    ALA  124 - HD2   PRO   52  23.82 +/- 3.68   3.664% *  7.4533% (0.90  1.00   0.02   0.02) =   4.488%  kept
          HB2   LEU   63 - HD2   PRO   52  16.74 +/- 1.17   1.159% *  8.3107% (1.00  1.00   0.02   0.02) =   1.583%  kept
          HB3   LEU   80 - HD2   PRO   52  16.94 +/- 1.82   1.107% *  8.1462% (0.98  1.00   0.02   0.02) =   1.482%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  20.15 +/- 1.93   0.379% * 12.8231% (0.15 10.00   0.02   0.02) =   0.799%  kept
          HG    LEU   98 - HD2   PRO   52  23.00 +/- 1.74   0.194% *  6.6547% (0.80  1.00   0.02   0.02) =   0.213%
          HB2   LEU   31 - HD2   PRO   52  26.04 +/- 1.59   0.079% *  7.4533% (0.90  1.00   0.02   0.02) =   0.096%
          HG2   LYS+  99 - HD2   PRO   52  29.16 +/- 1.30   0.041% *  4.7052% (0.57  1.00   0.02   0.02) =   0.032%
          HG2   LYS+  38 - HD2   PRO   52  33.45 +/- 1.52   0.018% *  3.7260% (0.45  1.00   0.02   0.02) =   0.011%
    Distance limit 3.54 A violated in 20 structures by 4.03 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.37, residual support = 223.9:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.972% * 97.1447% (0.80  10.0 10.00   7.37 223.95) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.63 +/- 1.50   0.028% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  20.94 +/- 1.77   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  17.88 +/- 1.95   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.31 +/- 1.57   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.11 +/- 2.01   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.42 +/- 1.49   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  27.27 +/- 1.39   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.96 +/- 1.20   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.15 +/- 2.08   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.33 +/- 1.75   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.39 +/- 1.60   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.09 +/- 1.86   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.37, residual support = 223.9:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.316% * 98.5557% (0.87  10.0 10.00   7.37 223.95) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.33 +/- 0.69   0.683% *  0.0426% (0.38   1.0  1.00   0.02  53.91) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.30 +/- 1.60   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HD2   PRO   52  13.37 +/- 1.61   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.91 +/- 1.83   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  25.53 +/- 1.78   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.34 +/- 1.60   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.45 +/- 1.31   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.63 +/- 1.55   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.7:
      O   HA1   GLY   51 - HD3   PRO   52   2.36 +/- 0.27  99.955% * 97.0168% (0.76  10.0  1.00   3.95  13.70) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.84 +/- 2.32   0.026% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  11.11 +/- 0.78   0.013% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  15.10 +/- 1.33   0.003% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.20 +/- 2.31   0.002% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  25.47 +/- 1.71   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  18.26 +/- 1.64   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  31.05 +/- 1.44   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.40 +/- 2.24   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  39.12 +/- 2.15   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  35.86 +/- 2.23   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.15, residual support = 13.7:
      O   HA1   GLY   51 - HD2   PRO   52   3.05 +/- 0.17  99.882% * 92.3448% (0.34  10.0  1.00   5.15  13.70) = 100.000%  kept
          HB    THR   77 - HD2   PRO   52  10.85 +/- 1.99   0.090% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  17.48 +/- 1.46   0.003% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.58 +/- 1.21   0.016% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  24.15 +/- 1.56   0.000% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.24 +/- 1.98   0.006% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.46 +/- 2.16   0.002% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.53 +/- 1.30   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.08 +/- 1.69   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.35 +/- 1.26   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.67 +/- 1.93   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  34.40 +/- 2.02   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.9:
      O   HG2   PRO   52 - HD3   PRO   52   2.82 +/- 0.22  98.663% * 99.6603% (0.90  10.0   6.60 223.95) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   6.70 +/- 1.36   1.318% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  14.02 +/- 2.33   0.012% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.05 +/- 2.39   0.003% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.30 +/- 1.14   0.005% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.40 +/- 2.35   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.85 +/- 1.81   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 224.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.39 +/- 0.22  99.945% * 99.3977% (0.97  10.0  1.00   6.60 223.95) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52  10.12 +/- 2.16   0.051% *  0.2038% (0.20   1.0 10.00   0.02   0.42) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.73 +/- 1.08   0.003% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.48 +/- 2.28   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  29.59 +/- 2.23   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  29.68 +/- 1.37   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.78 +/- 1.77   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  39.16 +/- 2.58   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.74, residual support = 223.9:
      O   HB3   PRO   52 - HD3   PRO   52   3.74 +/- 0.28  97.323% * 98.5682% (0.57  10.0   6.74 223.95) =  99.996%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.19 +/- 0.55   2.284% *  0.1647% (0.95   1.0   0.02   1.75) =   0.004%
          HB    ILE   56 - HD3   PRO   52  10.48 +/- 1.07   0.264% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   PRO   52  13.48 +/- 2.29   0.066% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  15.52 +/- 2.35   0.026% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  23.16 +/- 3.60   0.018% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  17.16 +/- 1.72   0.012% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  22.87 +/- 1.57   0.002% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  25.71 +/- 2.03   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  26.92 +/- 1.72   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.80 +/- 1.52   0.000% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.83 +/- 2.34   0.001% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  25.30 +/- 1.68   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.49 +/- 1.42   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.09, residual support = 53.9:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.02  99.984% * 99.3013% (0.61   6.09  53.91) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  17.24 +/- 2.29   0.014% *  0.2017% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.52 +/- 2.37   0.001% *  0.3476% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.19 +/- 1.70   0.000% *  0.1494% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.58, residual support = 13.7:
          HN    GLY   51 - HD3   PRO   52   2.83 +/- 0.46  99.997% * 99.4771% (0.92   3.58  13.70) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  17.15 +/- 1.69   0.003% *  0.5229% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.75, residual support = 1.73:
          HN    ARG+  54 - HD2   PRO   52   4.16 +/- 0.30  88.541% * 83.2902% (0.61   1.79   1.75) =  98.011%  kept
          HN    PHE   55 - HD2   PRO   52   5.89 +/- 0.33  11.402% * 13.1181% (0.73   0.23   0.41) =   1.988%  kept
          HN    ASP-  62 - HD2   PRO   52  15.76 +/- 0.89   0.033% *  1.4197% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  17.55 +/- 1.79   0.022% *  0.3835% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.01 +/- 1.60   0.002% *  1.4842% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.70 +/- 1.31   0.000% *  0.3044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 2 structures by 0.50 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 53.9:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.02  99.999% * 99.4797% (0.61   8.20  53.91) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  16.10 +/- 2.06   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.19 +/- 2.05   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.66 +/- 1.48   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 1.49, residual support = 8.05:
          QB    CYS   50 - HB3   CYS   53   4.19 +/- 1.09  88.180% * 96.8430% (0.92   1.50   8.06) =  99.820%  kept
          QE    LYS+  74 - HB3   CYS   53   7.86 +/- 1.90  11.339% *  1.3253% (0.95   0.02   0.02) =   0.176%
          HB3   ASP-  78 - HB3   CYS   53  11.81 +/- 1.99   0.436% *  0.7932% (0.57   0.02   0.02) =   0.004%
          HB2   PHE   72 - HB3   CYS   53  14.74 +/- 1.33   0.043% *  0.2454% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.42 +/- 1.64   0.002% *  0.7932% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 2 structures by 0.40 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.06:
        T QB    CYS   50 - HB2   CYS   53   3.79 +/- 1.62  89.422% * 99.6254% (0.92 10.00   1.50   8.06) =  99.985%  kept
          QE    LYS+  74 - HB2   CYS   53   7.87 +/- 1.57  10.415% *  0.1291% (0.90  1.00   0.02   0.02) =   0.015%
          HB3   ASP-  78 - HB2   CYS   53  11.92 +/- 1.64   0.138% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  14.82 +/- 1.32   0.025% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.47 +/- 1.34   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.51 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.24 +/- 1.01  97.985% * 41.1882% (0.95 10.00   0.02   0.02) =  99.823%  kept
          QB    ALA   91 - HA    CYS   53   8.36 +/- 1.42   1.553% *  3.9049% (0.90  1.00   0.02   0.02) =   0.150%
          HG2   LYS+  74 - HA    CYS   53  11.33 +/- 1.37   0.414% *  1.4852% (0.34  1.00   0.02   0.02) =   0.015%
        T HG13  ILE   19 - HA    CYS   53  18.79 +/- 1.26   0.013% * 24.6510% (0.57 10.00   0.02   0.02) =   0.008%
        T HG    LEU   71 - HA    CYS   53  22.03 +/- 1.75   0.006% * 13.4389% (0.31 10.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    CYS   53  17.94 +/- 1.44   0.014% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  20.64 +/- 1.21   0.006% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    CYS   53  19.90 +/- 1.18   0.007% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    CYS   53  30.18 +/- 1.48   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  25.32 +/- 1.26   0.001% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 4 structures by 0.40 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.78 +/- 0.05  99.997% * 99.7861% (0.61  10.0   4.78  44.11) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.73 +/- 1.81   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.68 +/- 1.59   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.08 +/- 1.46   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 44.1:
      O   HN    CYS   53 - HB2   CYS   53   2.65 +/- 0.52  99.990% * 99.7861% (0.61  10.0   4.92  44.11) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  15.08 +/- 1.72   0.008% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.07 +/- 1.59   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.49 +/- 1.47   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 31.9:
          HN    ARG+  54 - HB2   CYS   53   3.31 +/- 0.32  92.850% * 98.9923% (0.97   5.53  31.87) =  99.991%  kept
          HN    PHE   55 - HB2   CYS   53   5.14 +/- 0.18   7.081% *  0.1145% (0.31   0.02   0.02) =   0.009%
          HN    ASP-  62 - HB2   CYS   53  11.93 +/- 1.04   0.067% *  0.3508% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.24 +/- 1.44   0.002% *  0.3326% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.37 +/- 1.42   0.000% *  0.2099% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 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 +/- 0.31  99.851% * 99.1730% (0.87   5.36  31.87) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.01 +/- 1.46   0.145% *  0.2243% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.05 +/- 1.83   0.004% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.17 +/- 1.64   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.81, residual support = 161.9:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.89 +/- 0.21  96.000% * 99.8484% (0.87  10.0 10.00   4.81 161.90) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   5.56 +/- 1.18   3.993% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  17.49 +/- 2.74   0.007% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.26 +/- 2.81   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.65 +/- 3.49   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 161.9:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.923% * 99.6886% (0.87  10.0 10.00   3.60 161.90) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.67 +/- 0.87   0.060% *  0.0559% (0.49   1.0  1.00   0.02   3.25) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.00 +/- 0.93   0.015% *  0.0920% (0.80   1.0  1.00   0.02  31.87) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.85 +/- 1.70   0.002% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.29 +/- 1.31   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.84 +/- 1.91   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 = 3.6, residual support = 161.9:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.60 161.90) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  19.95 +/- 3.07   0.000% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 161.9:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.57 +/- 0.27  96.950% * 99.8484% (0.87  10.0 10.00   3.74 161.90) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   5.50 +/- 0.93   3.047% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  18.14 +/- 2.54   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.46 +/- 2.72   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.61 +/- 3.69   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 161.9:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.75 +/- 0.31  99.840% * 97.6350% (0.49  10.0 10.00   3.89 161.90) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54  10.04 +/- 0.72   0.053% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  10.26 +/- 1.82   0.067% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  12.88 +/- 2.23   0.035% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  18.89 +/- 2.15   0.002% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.47 +/- 1.44   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  19.91 +/- 1.98   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  26.08 +/- 2.16   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.12 +/- 3.06   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.86 +/- 1.40   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.71 +/- 2.84   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.20 +/- 2.42   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.41 +/- 2.64   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 161.9:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.21 +/- 0.55  99.896% * 99.0727% (0.73  10.0   4.04 161.90) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  12.55 +/- 1.76   0.056% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.64 +/- 2.12   0.015% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  25.28 +/- 3.67   0.004% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  18.57 +/- 2.54   0.011% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.42 +/- 1.65   0.004% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  17.07 +/- 1.62   0.008% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.11 +/- 3.13   0.002% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.92 +/- 2.83   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  22.91 +/- 2.15   0.002% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  34.03 +/- 2.84   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.45 +/- 3.24   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 161.9:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.978% * 97.1361% (0.92  10.0 10.00   4.97 161.90) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   9.15 +/- 0.85   0.006% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.40 +/- 0.88   0.011% *  0.0208% (0.20   1.0  1.00   0.02   1.75) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  11.52 +/- 2.21   0.004% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  20.58 +/- 3.08   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.79 +/- 2.07   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  26.05 +/- 2.29   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.55 +/- 1.73   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.38 +/- 1.03   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.03 +/- 1.97   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.81 +/- 0.86   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.04 +/- 1.84   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.30 +/- 2.44   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.56 +/- 1.74   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 161.9:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.66 +/- 0.25  99.985% * 97.7423% (0.31  10.0   5.13 161.90) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  16.14 +/- 1.97   0.003% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  16.89 +/- 2.17   0.003% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  18.28 +/- 2.24   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.45 +/- 1.73   0.005% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  18.14 +/- 1.61   0.001% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  24.53 +/- 3.15   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  22.58 +/- 1.70   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.47 +/- 2.15   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.32 +/- 2.49   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  19.99 +/- 2.17   0.001% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.69 +/- 2.86   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.10 +/- 2.00   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 161.9:
      O   HA    ARG+  54 - HG3   ARG+  54   3.20 +/- 0.59  99.969% * 99.5710% (1.00  10.0   4.76 161.90) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.08 +/- 1.35   0.016% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.87 +/- 2.34   0.005% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  26.77 +/- 3.04   0.002% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.24 +/- 1.61   0.006% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.49 +/- 2.27   0.001% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  28.93 +/- 2.15   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.85 +/- 2.30   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.15 +/- 2.22   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 161.9:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.57 +/- 0.27  99.998% * 99.9462% (0.76  10.0 10.00   3.74 161.90) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  19.29 +/- 3.36   0.002% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.81, residual support = 161.9:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.89 +/- 0.21  95.583% * 99.6886% (0.87  10.0 10.00   4.81 161.90) =  99.997%  kept
          QB    PHE   55 - HG3   ARG+  54   6.00 +/- 0.96   3.690% *  0.0559% (0.49   1.0  1.00   0.02   3.25) =   0.002%
          HB3   CYS   53 - HG3   ARG+  54   6.86 +/- 0.66   0.635% *  0.0920% (0.80   1.0  1.00   0.02  31.87) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54  10.57 +/- 1.54   0.062% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.54 +/- 1.14   0.030% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.32 +/- 1.60   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 161.9:
          HN    ARG+  54 - HG3   ARG+  54   3.80 +/- 0.45  99.895% * 99.3251% (0.87   6.58 161.90) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.91 +/- 1.31   0.103% *  0.1831% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.70 +/- 2.32   0.001% *  0.1560% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.34 +/- 2.01   0.000% *  0.3358% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 161.9:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.934% * 98.1061% (0.87  10.0 10.00   4.97 161.90) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   4.46 +/- 1.06   1.052% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  13.10 +/- 6.68   0.014% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.99 +/- 2.66   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  22.55 +/- 2.99   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  16.12 +/- 1.85   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.23 +/- 2.95   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.55 +/- 1.73   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.02 +/- 2.89   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  17.02 +/- 0.92   0.000% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.134, support = 2.67, residual support = 35.3:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  92.081% * 33.8555% (0.12  10.0  1.00   2.31  35.27) =  86.214%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.75 +/- 0.29   7.903% * 63.0750% (0.22  10.0  1.00   4.90  35.27) =  13.786%  kept
          QB    GLU-  15 - HG3   PRO   68   8.87 +/- 1.70   0.012% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.84 +/- 1.90   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  13.19 +/- 1.54   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.07 +/- 1.67   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  17.60 +/- 2.07   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.51 +/- 2.09   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  23.42 +/- 2.30   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.57 +/- 3.78   0.001% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  19.12 +/- 2.04   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.28 +/- 0.75   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  21.96 +/- 1.54   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  16.47 +/- 2.69   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.51 +/- 1.76   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  23.62 +/- 2.92   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.92 +/- 2.14   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.80 +/- 2.59   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.86 +/- 1.14   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.58 +/- 1.59   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.92 +/- 2.29   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.45 +/- 0.92   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.76 +/- 0.83   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.31 +/- 1.98   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 = 0.742, support = 4.78, residual support = 139.3:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.77 +/- 0.17  43.820% * 78.2062% (0.87  10.0 10.00   4.78 161.90) =  82.307%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.69 +/- 0.29  52.427% * 13.6207% (0.15  10.0  1.00   4.80  35.27) =  17.150%  kept
          QB    PHE   55 - HG2   ARG+  54   5.80 +/- 1.25   2.919% *  7.7124% (0.49   1.0  1.00   3.51   3.25) =   0.541%  kept
          HB3   CYS   53 - HG2   ARG+  54   5.90 +/- 0.86   0.788% *  0.0722% (0.80   1.0  1.00   0.02  31.87) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.97 +/- 1.62   0.028% *  0.0547% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.02 +/- 1.36   0.016% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.11 +/- 2.14   0.000% *  0.2087% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.75 +/- 1.40   0.000% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.38 +/- 1.56   0.001% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.51 +/- 1.78   0.000% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.65 +/- 1.26   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.59 +/- 1.67   0.000% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 161.9:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.75 +/- 0.31 100.000% * 99.7339% (0.31  10.0 10.00   3.89 161.90) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  26.08 +/- 2.16   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 161.9:
      O T HA    ARG+  54 - HG2   ARG+  54   2.57 +/- 0.53  97.816% * 97.8074% (1.00  10.0 10.00   4.74 161.90) =  99.999%  kept
          HA    ALA  124 - HG3   PRO   68  12.27 +/- 7.62   2.157% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HG2   ARG+  54  14.62 +/- 1.28   0.007% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.08 +/- 1.91   0.002% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  17.53 +/- 2.06   0.003% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  23.20 +/- 1.36   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  26.42 +/- 2.92   0.001% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.85 +/- 1.33   0.006% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.85 +/- 1.55   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.58 +/- 1.97   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.12 +/- 1.34   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  18.45 +/- 2.53   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.64 +/- 1.56   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.28 +/- 1.17   0.000% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.06 +/- 2.00   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  19.90 +/- 2.10   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.99 +/- 2.26   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.28 +/- 2.07   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.49, residual support = 161.9:
          HN    ARG+  54 - HG2   ARG+  54   3.23 +/- 0.37  99.912% * 99.0538% (0.87   6.49 161.90) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.39 +/- 1.15   0.045% *  0.1852% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  13.34 +/- 0.93   0.026% *  0.0494% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.00 +/- 1.59   0.013% *  0.0906% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.77 +/- 1.02   0.003% *  0.0421% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  25.79 +/- 2.08   0.000% *  0.1578% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.48 +/- 1.89   0.000% *  0.3397% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.83 +/- 1.22   0.001% *  0.0815% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.955, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   5.07 +/- 1.16  94.354% * 19.4000% (0.97   0.02   0.02) =  95.614%  kept
          HD2   LYS+  74 - HB3   ARG+  54  13.56 +/- 2.50   4.873% * 14.5972% (0.73   0.02   0.02) =   3.715%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.84 +/- 2.62   0.556% * 19.7041% (0.98   0.02   0.02) =   0.572%  kept
          HB3   LEU  123 - HB3   ARG+  54  22.31 +/- 2.79   0.057% * 19.4000% (0.97   0.02   0.02) =   0.058%
          QD    LYS+  65 - HB3   ARG+  54  15.79 +/- 1.69   0.113% *  3.5205% (0.18   0.02   0.02) =   0.021%
          QD    LYS+  33 - HB3   ARG+  54  26.21 +/- 2.93   0.012% * 19.4000% (0.97   0.02   0.02) =   0.013%
          HB2   LYS+ 121 - HB3   ARG+  54  21.12 +/- 1.98   0.035% *  3.9782% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.01 A violated in 17 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.48, residual support = 161.9:
      O   HN    ARG+  54 - HB3   ARG+  54   2.60 +/- 0.60  99.975% * 99.7769% (0.87  10.0   4.48 161.90) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.85 +/- 1.27   0.025% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.67 +/- 2.34   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.25 +/- 2.25   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.5, residual support = 161.9:
      O   HN    ARG+  54 - HB2   ARG+  54   2.89 +/- 0.63  99.947% * 99.6984% (0.87  10.0   6.50 161.90) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.70 +/- 1.21   0.032% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.08 +/- 2.35   0.008% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.00 +/- 1.99   0.007% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.02 +/- 1.39   0.004% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.70 +/- 3.32   0.001% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.85 +/- 2.06   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.36 +/- 1.92   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.15 +/- 1.82   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  24.65 +/- 2.24   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.17 +/- 1.78   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  35.44 +/- 2.27   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.245, support = 1.49, residual support = 29.8:
          QE    PHE   59 - HA    LEU  115   3.58 +/- 1.21  88.062% * 76.5609% (0.25   1.50  30.00) =  99.481%  kept
          HN    PHE   59 - HA    LEU  115   7.74 +/- 1.14   1.948% *  8.6894% (0.13   0.33  30.00) =   0.250%
          QD    PHE   60 - HA    ARG+  54   7.41 +/- 1.35   4.150% *  2.3456% (0.57   0.02   0.02) =   0.144%
          HN    PHE   59 - HA    ARG+  54   7.45 +/- 0.88   3.092% *  1.7033% (0.41   0.02   0.02) =   0.078%
          QD    PHE   60 - HA    LEU  115   8.64 +/- 1.23   2.202% *  0.7218% (0.17   0.02   0.02) =   0.023%
          QE    PHE   59 - HA    ARG+  54  10.24 +/- 1.25   0.427% *  3.3175% (0.80   0.02   0.02) =   0.021%
          HN    LYS+  66 - HA    LEU  115  12.86 +/- 0.92   0.084% *  1.2496% (0.30   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    ARG+  54  16.05 +/- 1.10   0.025% *  4.0610% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  19.98 +/- 1.29   0.007% *  1.0331% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.39 +/- 1.28   0.003% *  0.3179% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 3 structures by 0.40 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.2, residual support = 151.6:
      O   HN    ARG+  54 - HA    ARG+  54   2.73 +/- 0.04  82.053% * 75.5578% (0.97  10.0   6.42 161.90) =  93.499%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.53 +/- 0.03  17.839% * 24.1648% (0.31  10.0   3.05   3.25) =   6.501%  kept
          HN    ASP-  62 - HA    ARG+  54  10.48 +/- 1.04   0.031% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.04 +/- 0.96   0.039% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  12.91 +/- 1.35   0.010% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.27 +/- 1.50   0.027% *  0.0074% (0.09   1.0   0.02   5.43) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.76 +/- 1.54   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.98 +/- 1.82   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.05 +/- 1.53   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  25.19 +/- 2.31   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 18.9:
          HN    ILE   56 - QB    PHE   55   2.98 +/- 0.31  95.930% * 97.4352% (0.57   4.27  18.88) =  99.992%  kept
          QE    PHE   60 - QB    PHE   55   9.67 +/- 2.20   2.322% *  0.2010% (0.25   0.02   0.02) =   0.005%
          HN    LYS+ 111 - QB    PHE   55   7.90 +/- 3.11   1.715% *  0.1795% (0.22   0.02   0.02) =   0.003%
          HN    LEU   63 - QB    PHE   55  11.85 +/- 0.65   0.028% *  0.5537% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.50 +/- 2.21   0.003% *  0.6733% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.03 +/- 1.36   0.001% *  0.7779% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.39 +/- 1.19   0.002% *  0.1795% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.9, residual support = 20.2:
      O   HN    PHE   55 - QB    PHE   55   2.02 +/- 0.08  98.840% * 99.5965% (0.73  10.0   2.90  20.19) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.26 +/- 0.15   1.155% *  0.0832% (0.61   1.0   0.02   3.25) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.91 +/- 0.63   0.004% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.37 +/- 1.32   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.84 +/- 1.52   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  28.11 +/- 1.42   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.48 +/- 1.52  95.370% * 36.5548% (0.90   0.02   0.02) =  97.513%  kept
          HN    LYS+  66 - QB    PHE   55  15.74 +/- 0.70   3.138% * 16.7569% (0.41   0.02   0.02) =   1.471%  kept
          HN    LYS+  81 - QB    PHE   55  19.48 +/- 1.55   0.790% * 40.3993% (0.99   0.02   0.02) =   0.893%  kept
          HE3   TRP   27 - QB    PHE   55  19.94 +/- 1.44   0.702% *  6.2891% (0.15   0.02   0.02) =   0.123%
    Distance limit 3.17 A violated in 20 structures by 5.24 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 = 123.6:
      O   HN    ILE   56 - HB    ILE   56   3.15 +/- 0.48  98.692% * 98.8687% (0.25  10.0   6.05 123.58) =  99.997%  kept
          QE    PHE   60 - HB    ILE   56   8.61 +/- 1.75   1.010% *  0.2245% (0.57   1.0   0.02   3.98) =   0.002%
          HN    LEU   63 - HB    ILE   56   9.68 +/- 1.03   0.295% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  19.96 +/- 2.30   0.002% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  24.05 +/- 1.25   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.464, support = 2.49, residual support = 16.6:
          QD    PHE   55 - HB    ILE   56   3.86 +/- 0.90  79.623% * 61.5406% (0.41   2.73  18.88) =  87.592%  kept
          QE    PHE   95 - HB    ILE   56   6.05 +/- 1.85  20.230% * 34.3052% (0.84   0.75   0.34) =  12.406%  kept
          HD1   TRP   49 - HB    ILE   56  13.58 +/- 1.81   0.091% *  0.8370% (0.76   0.02   0.02) =   0.001%
          HN    LEU   67 - HB    ILE   56  15.60 +/- 1.09   0.034% *  1.0855% (0.99   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  18.83 +/- 2.48   0.011% *  0.6643% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  21.65 +/- 1.51   0.004% *  0.9500% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  20.04 +/- 1.20   0.006% *  0.3736% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  29.73 +/- 1.69   0.001% *  0.2438% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 4.67, residual support = 123.6:
      O T QD1   ILE   56 - HB    ILE   56   2.75 +/- 0.40  99.945% * 99.4902% (0.87  10.0 10.00   4.67 123.58) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  12.71 +/- 1.75   0.044% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.21 +/- 1.71   0.004% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  15.17 +/- 1.83   0.006% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.80 +/- 1.58   0.000% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.91, residual support = 123.6:
      O T QD1   ILE   56 - QG1   ILE   56   1.90 +/- 0.01  99.989% * 98.2187% (0.87  10.0 10.00   3.91 123.58) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  12.40 +/- 1.73   0.005% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.19 +/- 1.46   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  10.54 +/- 0.91   0.004% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  19.12 +/- 1.29   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.78, residual support = 123.6:
        T QG2   ILE   56 - QD1   ILE   56   2.45 +/- 0.67  99.833% * 98.5057% (0.72 10.00   4.78 123.58) = 100.000%  kept
          QB    ALA   91 - QD1   ILE   56   8.64 +/- 1.42   0.113% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.56 +/- 1.14   0.003% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.46 +/- 1.35   0.046% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.68 +/- 1.45   0.002% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.36 +/- 1.15   0.003% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.17 +/- 1.19   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.797, support = 1.97, residual support = 3.83:
          QB    ALA  110 - QD1   ILE   56   4.82 +/- 2.82  36.228% * 71.9394% (0.85  1.00   2.20   4.43) =  85.940%  kept
          HB3   LEU  115 - QD1   ILE   56   3.93 +/- 1.23  53.294% *  5.0247% (0.21  1.00   0.62   0.21) =   8.830%  kept
          QB    ALA   61 - QD1   ILE   56   6.45 +/- 0.90   9.453% * 16.7168% (0.94  1.00   0.46   0.02) =   5.211%  kept
          QG    LYS+  66 - QD1   ILE   56   9.87 +/- 0.90   0.302% *  0.6317% (0.82  1.00   0.02   0.02) =   0.006%
        T HD3   LYS+ 121 - QD1   ILE   56  11.93 +/- 1.54   0.082% *  2.0249% (0.26 10.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - QD1   ILE   56  12.92 +/- 1.11   0.075% *  0.7138% (0.93  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   ILE   56  11.85 +/- 1.64   0.291% *  0.1816% (0.24  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD1   ILE   56  14.17 +/- 1.90   0.056% *  0.5003% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD1   ILE   56  16.37 +/- 2.41   0.038% *  0.6723% (0.87  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  15.09 +/- 1.51   0.039% *  0.6083% (0.79  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   ILE   56  12.81 +/- 1.43   0.080% *  0.1124% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.03 +/- 1.62   0.029% *  0.2994% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.99 +/- 1.68   0.028% *  0.1621% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.39 +/- 1.76   0.004% *  0.4123% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 2 structures by 0.40 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.91, residual support = 123.6:
      O T QG1   ILE   56 - QD1   ILE   56   1.90 +/- 0.01  99.894% * 98.9931% (0.85  10.0 10.00   3.91 123.58) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.48 +/- 1.25   0.046% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.42 +/- 2.39   0.053% *  0.0341% (0.29   1.0  1.00   0.02   2.17) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.68 +/- 1.83   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.95 +/- 1.43   0.004% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.83 +/- 1.42   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.13 +/- 1.04   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.94 +/- 1.04   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.67, residual support = 123.6:
      O T HB    ILE   56 - QD1   ILE   56   2.75 +/- 0.40  98.941% * 98.1990% (0.72  10.0 10.00   4.67 123.58) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.55 +/- 0.53   0.659% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   8.50 +/- 1.31   0.261% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.67 +/- 1.24   0.115% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.52 +/- 1.56   0.003% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  13.54 +/- 1.52   0.014% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.34 +/- 1.73   0.005% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.47 +/- 1.37   0.001% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.85 +/- 1.47   0.002% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.56 +/- 1.96   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.54:
        T HA    LYS+ 112 - QD1   ILE   56   4.86 +/- 2.17  75.125% * 99.8482% (0.79 10.00   1.82   8.54) =  99.986%  kept
          HB    THR   46 - QD1   ILE   56   8.20 +/- 2.03  23.041% *  0.0406% (0.29  1.00   0.02   0.02) =   0.012%
          HB2   HIS  122 - QD1   ILE   56  11.66 +/- 1.61   1.733% *  0.0745% (0.54  1.00   0.02   0.02) =   0.002%
          HB2   HIS   22 - QD1   ILE   56  16.94 +/- 2.18   0.100% *  0.0366% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 12 structures by 1.90 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.878, support = 3.07, residual support = 9.17:
          HA    ALA  110 - QD1   ILE   56   4.85 +/- 3.49  69.910% * 45.2465% (0.94   2.65   4.43) =  67.190%  kept
          HA    PHE   55 - QD1   ILE   56   5.19 +/- 1.14  28.529% * 54.1351% (0.76   3.92  18.88) =  32.806%  kept
          HA    VAL  107 - QD1   ILE   56   7.71 +/- 1.42   1.206% *  0.1294% (0.36   0.02   0.02) =   0.003%
          HA    GLN   90 - QD1   ILE   56  12.99 +/- 1.63   0.062% *  0.3262% (0.89   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  10.66 +/- 1.46   0.204% *  0.0860% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  12.06 +/- 1.50   0.089% *  0.0768% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 3 structures by 0.44 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   9.79 +/- 1.15 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 6.49 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.6, residual support = 20.7:
          HN    PHE   59 - QD1   ILE   56   3.78 +/- 0.28  99.734% * 93.2455% (0.29   1.60  20.73) =  99.991%  kept
          HN    HIS  122 - QD1   ILE   56  10.96 +/- 1.19   0.248% *  3.2722% (0.82   0.02   0.02) =   0.009%
          HH2   TRP   87 - QD1   ILE   56  16.72 +/- 1.60   0.018% *  3.4823% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.4:
          HN    ALA   57 - QD1   ILE   56   3.48 +/- 0.85  98.430% * 98.3780% (0.42   4.64  33.44) =  99.994%  kept
          HE21  GLN  116 - QD1   ILE   56   8.96 +/- 1.63   1.521% *  0.3548% (0.36   0.02   0.02) =   0.006%
          HE21  GLN   90 - QD1   ILE   56  14.39 +/- 1.91   0.047% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  23.66 +/- 1.34   0.002% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.248, support = 5.55, residual support = 118.8:
          HN    ILE   56 - QD1   ILE   56   3.44 +/- 0.72  87.465% * 70.2958% (0.24   5.74 123.58) =  96.045%  kept
          QE    PHE   60 - QD1   ILE   56   6.45 +/- 1.85   9.179% * 27.4570% (0.54   0.99   3.98) =   3.937%  kept
          HN    LEU   63 - QD1   ILE   56   6.88 +/- 0.98   3.338% *  0.3352% (0.32   0.02   0.02) =   0.017%
          HZ2   TRP   87 - QD1   ILE   56  15.98 +/- 1.59   0.014% *  0.9826% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  19.26 +/- 1.76   0.004% *  0.9295% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.73, residual support = 8.53:
          HN    LYS+ 112 - QD1   ILE   56   5.92 +/- 2.28  85.853% * 97.4176% (0.50   1.74   8.54) =  99.900%  kept
          HN    VAL   75 - QD1   ILE   56  10.76 +/- 1.67  12.281% *  0.4749% (0.21   0.02   0.02) =   0.070%
          HN    ASP-  78 - QD1   ILE   56  13.90 +/- 1.56   1.844% *  1.3799% (0.61   0.02   0.02) =   0.030%
          HN    MET   11 - QD1   ILE   56  28.48 +/- 1.84   0.021% *  0.7276% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 13 structures by 2.38 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.7:
        T HB3   PHE   59 - QG1   ILE   56   2.79 +/- 0.62  98.845% * 99.8494% (0.38 10.00   3.00  20.73) =  99.998%  kept
          HB2   PHE   95 - QG1   ILE   56   7.32 +/- 1.75   1.155% *  0.1506% (0.57  1.00   0.02   0.34) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.347, support = 2.52, residual support = 20.7:
        T HB2   PHE   59 - QG1   ILE   56   2.65 +/- 0.79  92.593% * 73.3065% (0.34 10.00   2.49  20.73) =  97.932%  kept
          QB    PHE   55 - QG1   ILE   56   5.04 +/- 0.45   5.503% * 25.9937% (0.61  1.00   3.99  18.88) =   2.064%  kept
          HD3   PRO   93 - QG1   ILE   56   7.62 +/- 1.96   1.051% *  0.1561% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QG1   ILE   56   7.05 +/- 1.01   0.716% *  0.1927% (0.90  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - QG1   ILE   56   9.64 +/- 0.98   0.129% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.70 +/- 1.17   0.008% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.18 +/- 1.08 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.85 A violated in 20 structures by 6.33 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.7:
          QD    PHE   59 - QG1   ILE   56   3.34 +/- 0.61  99.888% * 96.4507% (0.34   1.97  20.73) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.28 +/- 1.01   0.097% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  17.89 +/- 1.69   0.010% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.99 +/- 0.98   0.005% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 123.6:
      O   HN    ILE   56 - HA    ILE   56   2.89 +/- 0.11  99.511% * 98.8687% (0.25  10.0   5.04 123.58) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   8.57 +/- 1.41   0.348% *  0.2245% (0.57   1.0   0.02   3.98) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.98 +/- 0.87   0.139% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  21.19 +/- 2.16   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  24.91 +/- 1.09   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.6:
        T HD2   PRO   58 - QB    ALA   57   2.13 +/- 0.26  96.410% * 98.8080% (0.95 10.00   5.07  24.61) =  99.999%  kept
          HB2   CYS   53 - QB    ALA   57   4.76 +/- 1.42   3.589% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  18.14 +/- 2.36   0.001% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.72 +/- 1.62   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  23.04 +/- 1.23   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.46 +/- 0.47  99.959% * 98.4865% (0.18  10.0   4.87  24.31) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  13.16 +/- 1.61   0.010% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  12.76 +/- 0.84   0.011% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  12.69 +/- 1.51   0.013% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.94 +/- 1.27   0.002% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.00 +/- 1.00   0.004% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.09 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   2.71 +/- 0.20  99.980% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HN    ALA  120 - HA    ALA   57  13.73 +/- 0.78   0.007% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HA    ALA   57  14.10 +/- 1.86   0.008% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  15.21 +/- 1.60   0.004% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.06 +/- 1.37   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.02  99.836% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.68 +/- 1.29   0.039% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   8.43 +/- 2.64   0.113% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.52 +/- 1.29   0.009% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.95 +/- 1.32   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.49 +/- 2.38   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.55 +/- 1.88   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.60 +/- 1.24   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  16.95 +/- 1.01   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.02 +/- 2.00   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.39 +/- 1.54   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.31 +/- 2.43   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.239, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.23 +/- 1.00  94.767% *  5.7685% (0.15   0.02   0.02) =  83.659%  kept
          HN    SER   85 - HB2   PRO   58  25.73 +/- 1.86   1.271% * 29.9364% (0.80   0.02   0.02) =   5.825%  kept
          HN    GLN   32 - HB2   PRO   58  27.95 +/- 1.14   0.721% * 37.3861% (1.00   0.02   0.02) =   4.125%  kept
          HN    LEU   80 - HB2   PRO   58  23.42 +/- 1.87   2.102% * 11.5391% (0.31   0.02   0.02) =   3.712%  kept
          HN    ALA   34 - HB2   PRO   58  26.00 +/- 1.27   1.139% * 15.3699% (0.41   0.02   0.02) =   2.679%  kept
    Distance limit 3.86 A violated in 20 structures by 8.26 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 6.24, residual support = 40.2:
      O   HN    PHE   59 - HB3   PRO   58   3.80 +/- 0.44  86.824% * 89.5909% (0.61  10.0   6.30  40.18) =  98.682%  kept
          QE    PHE   59 - HB3   PRO   58   6.90 +/- 2.10  10.140% * 10.2371% (0.83   1.0   1.67  40.18) =   1.317%  kept
          QD    PHE   60 - HB3   PRO   58   7.53 +/- 0.72   2.764% *  0.0343% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.55 +/- 0.83   0.232% *  0.0943% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  14.57 +/- 1.90   0.037% *  0.0244% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  24.66 +/- 2.44   0.003% *  0.0190% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 146.5:
      O   HD2   PRO   58 - HG3   PRO   58   2.33 +/- 0.12  99.977% * 99.7269% (0.95  10.0   5.39 146.48) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.84 +/- 1.06   0.022% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.82 +/- 2.07   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  29.01 +/- 1.41   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  29.50 +/- 1.05   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 146.5:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.846% * 99.2991% (0.76  10.0   4.50 146.48) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.88 +/- 1.48   0.101% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  14.84 +/- 1.08   0.036% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.52 +/- 1.10   0.005% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  18.81 +/- 1.31   0.009% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.95 +/- 1.07   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  26.16 +/- 1.66   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.79 +/- 1.34   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.55, residual support = 24.6:
          HN    ALA   57 - HD2   PRO   58   2.35 +/- 0.65  99.968% * 98.5778% (0.54   5.55  24.61) = 100.000%  kept
          HN    ALA  120 - HD2   PRO   58  13.60 +/- 1.38   0.012% *  0.6059% (0.91   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   58  13.07 +/- 1.96   0.015% *  0.4061% (0.61   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  18.81 +/- 1.47   0.002% *  0.2356% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  16.99 +/- 2.25   0.003% *  0.1746% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 146.5:
      O   HA    PRO   58 - HD3   PRO   58   3.97 +/- 0.04  97.860% * 99.2639% (0.72  10.0   6.52 146.48) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  10.65 +/- 1.23   0.346% *  0.1254% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  14.14 +/- 0.92   0.053% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.53 +/- 0.86   0.584% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.39 +/- 1.03   0.360% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.69 +/- 1.66   0.385% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  16.62 +/- 1.46   0.021% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.72 +/- 0.82   0.007% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.36 +/- 1.69   0.262% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  22.05 +/- 1.25   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  14.98 +/- 1.88   0.047% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.54 +/- 1.60   0.033% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.74 +/- 1.31   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  15.39 +/- 0.86   0.031% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  29.25 +/- 1.38   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.36 +/- 1.53   0.006% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.9, residual support = 24.6:
          HN    ALA   57 - HD3   PRO   58   2.10 +/- 0.31  99.565% * 97.8799% (0.54   3.90  24.61) = 100.000%  kept
          HN    ALA  124 - HD2   PRO   68  11.60 +/- 7.25   0.411% *  0.0147% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD3   PRO   58  11.75 +/- 2.06   0.010% *  0.5737% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.21 +/- 1.20   0.005% *  0.8559% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.80 +/- 1.29   0.001% *  0.3328% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  17.25 +/- 2.08   0.001% *  0.2466% (0.26   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.87 +/- 3.85   0.003% *  0.0379% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.53 +/- 4.64   0.002% *  0.0254% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.26 +/- 1.07   0.002% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.08 +/- 1.38   0.000% *  0.0222% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.6:
          QB    ALA   57 - HD3   PRO   58   3.17 +/- 0.34  98.762% * 96.7335% (0.87   3.30  24.61) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  11.98 +/- 1.24   0.051% *  0.6298% (0.94   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  10.92 +/- 1.05   0.085% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.23 +/- 2.40   0.025% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  12.81 +/- 6.42   0.725% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  15.19 +/- 1.52   0.011% *  0.3343% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.46 +/- 1.17   0.237% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.04 +/- 1.12   0.007% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  13.61 +/- 4.23   0.050% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.69 +/- 1.57   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.58 +/- 1.91   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  15.70 +/- 1.24   0.009% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  15.29 +/- 1.63   0.012% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.65 +/- 0.63   0.008% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.64 +/- 1.70   0.016% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.99 +/- 1.39   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.52 +/- 2.76   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  24.26 +/- 1.86   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.6:
        T QB    ALA   57 - HD2   PRO   58   2.13 +/- 0.26  99.983% * 97.4262% (0.87 10.00   5.07  24.61) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  12.05 +/- 1.46   0.005% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  10.91 +/- 1.13   0.009% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  15.47 +/- 2.51   0.001% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.56 +/- 1.75   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.93 +/- 1.90   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.17 +/- 1.24   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.75 +/- 1.34   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  23.83 +/- 2.05   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 146.5:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.987% * 99.6708% (0.89  10.0 10.00   7.73 146.48) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   8.00 +/- 0.69   0.013% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  18.45 +/- 0.80   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.44 +/- 1.80   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.47 +/- 2.16   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.99 +/- 1.57   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.07 +/- 1.58   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  27.66 +/- 1.20   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.56 +/- 1.76   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.69 +/- 1.47   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 146.5:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.992% * 99.5891% (0.95  10.0 10.00   7.73 146.48) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.54 +/- 0.36   0.008% *  0.0446% (0.42   1.0  1.00   0.02   1.00) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  18.45 +/- 0.80   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.06 +/- 1.59   0.000% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.65, residual support = 40.2:
          HN    PHE   59 - HD2   PRO   58   3.61 +/- 0.30  97.206% * 99.0697% (0.69   6.65  40.18) =  99.996%  kept
          QE    PHE   59 - HD2   PRO   58   7.47 +/- 1.51   2.770% *  0.1400% (0.32   0.02  40.18) =   0.004%
          HN    HIS  122 - HD2   PRO   58  15.74 +/- 1.67   0.020% *  0.4022% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  23.17 +/- 2.88   0.005% *  0.3881% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.7:
        T QG1   ILE   56 - HB3   PHE   59   2.79 +/- 0.62  99.994% * 99.6917% (0.53 10.00   3.00  20.73) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  17.38 +/- 1.70   0.004% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  19.48 +/- 1.33   0.002% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.59, support = 0.523, residual support = 4.0:
          HB3   ASP-  62 - HB3   PHE   59   5.29 +/- 0.89  39.510% * 56.7168% (0.45   0.75   6.41) =  59.147%  kept
          QE    LYS+ 112 - HB3   PHE   59   5.41 +/- 2.27  57.694% * 26.4502% (0.80   0.20   0.51) =  40.278%  kept
          HB    VAL  107 - HB3   PHE   59   8.24 +/- 1.15   2.705% *  7.9497% (0.38   0.13   0.11) =   0.568%  kept
          HB3   PHE   45 - HB3   PHE   59  13.66 +/- 1.30   0.087% *  2.7013% (0.80   0.02   0.02) =   0.006%
          HB3   ASP-  86 - HB3   PHE   59  22.94 +/- 1.21   0.003% *  2.9263% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  28.13 +/- 1.42   0.001% *  3.2557% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.7:
        T QG1   ILE   56 - HB2   PHE   59   2.65 +/- 0.79  99.976% * 99.0024% (0.18 10.00   2.49  20.73) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  14.58 +/- 1.17   0.012% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.03 +/- 1.72   0.005% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  19.28 +/- 1.62   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  19.07 +/- 1.65   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  20.99 +/- 1.64   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.5:
      O   HN    PHE   59 - HB3   PHE   59   2.51 +/- 0.61  99.856% * 99.4232% (0.31  10.0   4.98  58.51) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  11.12 +/- 1.76   0.143% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  21.12 +/- 1.43   0.001% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.5:
      O   HN    PHE   59 - HB2   PHE   59   2.66 +/- 0.47  93.803% * 99.7763% (1.00  10.0   4.37  58.51) =  99.995%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.04   6.102% *  0.0799% (0.80   1.0   0.02  58.51) =   0.005%
          HN    HIS  122 - HB2   PHE   59  10.78 +/- 1.11   0.040% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.91 +/- 0.31   0.054% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  20.67 +/- 1.79   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.41:
          HB2   ASP-  62 - HA    PHE   59   3.15 +/- 0.39  99.909% * 97.0773% (0.99  1.00   1.50   6.41) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.26 +/- 0.92   0.073% *  2.2871% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   PRO   52 - HA    PHE   59  14.05 +/- 1.29   0.019% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.41:
          HB3   ASP-  62 - HA    PHE   59   2.86 +/- 0.84  95.239% * 85.4423% (0.18  1.00   2.96   6.41) =  99.934%  kept
          HG3   GLN  116 - HA    PHE   59   8.62 +/- 2.11   4.749% *  1.1256% (0.34  1.00   0.02   0.59) =   0.066%
        T HB3   TRP   87 - HA    PHE   59  19.26 +/- 1.38   0.004% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  16.90 +/- 1.21   0.008% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  28.88 +/- 2.14   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.5:
      O   HN    PHE   59 - HA    PHE   59   2.79 +/- 0.06  95.284% * 99.7763% (1.00  10.0   4.97  58.51) =  99.996%  kept
          QE    PHE   59 - HA    PHE   59   4.78 +/- 0.42   4.479% *  0.0799% (0.80   1.0   0.02  58.51) =   0.004%
          HN    LYS+  66 - HA    PHE   59   7.97 +/- 0.42   0.185% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59  10.64 +/- 1.68   0.051% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  22.08 +/- 1.42   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.0, residual support = 20.3:
          HN    PHE   60 - HB3   PHE   59   3.48 +/- 0.46  93.270% * 98.7556% (0.61   4.01  20.26) =  99.985%  kept
          HN    THR  118 - HB3   PHE   59   8.25 +/- 1.64   2.482% *  0.3051% (0.38   0.02  11.02) =   0.008%
          HN    GLN  116 - HB3   PHE   59   6.50 +/- 0.77   4.246% *  0.1424% (0.18   0.02   0.59) =   0.007%
          HN    GLU-  15 - HB3   PHE   59  20.33 +/- 0.80   0.003% *  0.7969% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.987, support = 3.9, residual support = 71.1:
          QD    PHE   60 - HA    PHE   60   2.79 +/- 0.41  85.867% * 91.3407% (1.00   3.93  71.82) =  98.620%  kept
          QE    PHE   59 - HA    PHE   60   5.77 +/- 2.00  13.790% *  7.9485% (0.25   1.37  20.26) =   1.378%  kept
          HN    LYS+  66 - HA    PHE   60   7.42 +/- 0.39   0.342% *  0.3380% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.67 +/- 0.83   0.001% *  0.3728% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 71.8:
      O   HN    PHE   60 - HA    PHE   60   2.82 +/- 0.03  99.812% * 99.7483% (0.61  10.0   4.94  71.82) = 100.000%  kept
          HN    THR  118 - HA    PHE   60   9.74 +/- 1.25   0.086% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60   9.46 +/- 1.09   0.098% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  16.17 +/- 0.88   0.003% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.98, residual support = 42.0:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.02  99.940% * 99.5823% (0.84  10.0   4.98  41.96) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  15.48 +/- 1.59   0.023% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  16.00 +/- 0.90   0.015% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  17.27 +/- 1.22   0.010% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  18.85 +/- 0.65   0.005% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  19.09 +/- 1.26   0.005% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  22.55 +/- 1.14   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.747, residual support = 0.743:
          HA    ALA   57 - HB2   PHE   60   3.31 +/- 0.61  97.478% * 42.7977% (0.15   0.75   0.75) =  99.561%  kept
          HA    ASP-  44 - HB2   PHE   60   7.91 +/- 1.45   2.435% *  7.3803% (1.00   0.02   0.86) =   0.429%
          HB    THR   77 - HB2   PHE   60  14.91 +/- 1.12   0.022% *  7.2502% (0.98   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB2   PHE   60  13.42 +/- 1.37   0.030% *  2.7761% (0.38   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   PHE   60  17.53 +/- 1.81   0.011% *  6.8280% (0.92   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   PHE   60  19.95 +/- 1.89   0.005% *  7.2502% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  19.06 +/- 0.91   0.004% *  4.1877% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   PHE   60  19.79 +/- 1.65   0.005% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  18.66 +/- 1.01   0.005% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  21.28 +/- 1.83   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  25.00 +/- 1.48   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  28.20 +/- 1.45   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 71.8:
      O   QD    PHE   60 - HB2   PHE   60   2.35 +/- 0.08  99.913% * 99.7759% (0.76  10.0   3.76  71.82) = 100.000%  kept
          QD    PHE   55 - HB2   PHE   60   8.97 +/- 1.33   0.061% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   60   9.47 +/- 0.32   0.024% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.47 +/- 1.03   0.001% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.49 +/- 0.99   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.91, residual support = 42.0:
          HN    ALA   61 - HB2   PHE   60   2.88 +/- 0.41  99.954% * 95.7515% (0.38   4.91  41.96) = 100.000%  kept
          HN    ALA   91 - HB2   PHE   60  14.58 +/- 1.93   0.028% *  0.4656% (0.45   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  15.68 +/- 1.36   0.007% *  0.9315% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  18.55 +/- 0.92   0.002% *  0.8317% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.84 +/- 1.54   0.001% *  0.9588% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  17.59 +/- 1.96   0.006% *  0.1603% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.97 +/- 1.72   0.001% *  0.3543% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.87 +/- 1.45   0.000% *  0.5464% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 71.8:
      O   HN    PHE   60 - HB2   PHE   60   2.03 +/- 0.14  99.988% * 99.7483% (0.61  10.0   4.80  71.82) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  11.26 +/- 1.16   0.006% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  10.46 +/- 0.91   0.006% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  16.97 +/- 1.04   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 3.14, residual support = 11.6:
        T QD1   LEU   63 - HA    PHE   60   2.87 +/- 0.71  83.213% * 93.0734% (1.00 10.00   3.15  11.65) =  99.193%  kept
          QD2   LEU   63 - HA    PHE   60   4.65 +/- 0.83  11.811% *  5.3003% (0.57  1.00   2.01  11.65) =   0.802%  kept
          QD2   LEU  115 - HA    PHE   60   6.17 +/- 1.29   4.905% *  0.0777% (0.84  1.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HA    PHE   60  11.17 +/- 1.70   0.047% *  0.9307% (1.00 10.00   0.02   0.21) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  13.24 +/- 1.46   0.013% *  0.5269% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.64 +/- 0.68   0.007% *  0.0745% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.39 +/- 0.86   0.003% *  0.0163% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.6:
        T HB2   LEU   63 - HA    PHE   60   2.90 +/- 0.53  96.615% * 98.8172% (0.92 10.00   1.50  11.65) =  99.995%  kept
          HB3   ASP-  44 - HA    PHE   60   6.17 +/- 1.08   2.729% *  0.1399% (0.98  1.00   0.02   0.86) =   0.004%
          HB3   PRO   93 - HA    PHE   60   8.55 +/- 1.52   0.488% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    PHE   60  14.15 +/- 1.98   0.044% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.33 +/- 1.90   0.010% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.14 +/- 1.66   0.045% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  14.89 +/- 0.90   0.008% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.90 +/- 1.25   0.007% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.95 +/- 1.24   0.030% *  0.0220% (0.15  1.00   0.02   0.21) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.40 +/- 1.10   0.015% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.90 +/- 1.20   0.003% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.87 +/- 0.78   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  18.10 +/- 1.50   0.002% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  22.84 +/- 1.54   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.49 +/- 1.58   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.34, support = 0.982, residual support = 3.33:
        T QG2   VAL   18 - HA    ALA   61   3.57 +/- 1.17  93.289% * 87.4055% (0.34 10.00   0.99   3.34) =  99.579%  kept
          QD1   ILE   56 - HA    ALA   61   7.98 +/- 1.39   4.621% *  7.2488% (0.61  1.00   0.46   0.02) =   0.409%
          QD2   LEU   73 - HA    ALA   61   9.64 +/- 1.31   1.019% *  0.4506% (0.87  1.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - HA    ALA   61  12.97 +/- 1.01   0.091% *  3.9702% (0.76 10.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    ALA   61   9.37 +/- 1.32   0.801% *  0.1295% (0.25  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    ALA   61  11.55 +/- 0.96   0.167% *  0.2941% (0.57  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    ALA   61  18.35 +/- 1.20   0.012% *  0.5014% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 8 structures by 0.85 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.6, residual support = 7.45:
        T QB    ALA   64 - HA    ALA   61   2.66 +/- 0.43  99.894% * 98.7496% (0.34 10.00   2.60   7.45) = 100.000%  kept
          QD1   LEU  115 - HA    ALA   61   9.62 +/- 1.68   0.093% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   75 - HA    ALA   61  12.60 +/- 0.85   0.013% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.45:
          HN    ALA   64 - HA    ALA   61   3.44 +/- 0.21 100.000% *100.0000% (0.84   0.75   7.45) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.77, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.80 +/- 0.04  99.991% * 98.9218% (0.38  10.0   2.77  18.01) = 100.000%  kept
          HD1   TRP   87 - HA    ALA   61  18.09 +/- 1.32   0.002% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  18.40 +/- 2.18   0.002% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  18.47 +/- 1.00   0.001% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  19.00 +/- 1.11   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  19.63 +/- 2.09   0.002% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.25 +/- 1.17   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.21 +/- 1.22   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.83, residual support = 71.8:
      O   QD    PHE   60 - HB3   PHE   60   2.62 +/- 0.14  92.059% * 99.6845% (0.73  10.0   3.83  71.82) =  99.993%  kept
          QE    PHE   59 - HB3   PHE   60   6.56 +/- 2.21   6.472% *  0.0888% (0.65   1.0   0.02  20.26) =   0.006%
          HN    PHE   59 - HB3   PHE   60   5.48 +/- 0.46   1.417% *  0.0382% (0.28   1.0   0.02  20.26) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.17 +/- 0.41   0.052% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  19.11 +/- 1.20   0.001% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 71.8:
      O   HN    PHE   60 - HB3   PHE   60   2.92 +/- 0.30  99.995% * 99.5797% (0.20  10.0   4.94  71.82) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  16.38 +/- 1.41   0.005% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.878, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  15.07 +/- 1.50  54.386% * 23.9067% (0.95   0.02   0.02) =  63.603%  kept
          HN    THR   39 - HB3   PHE   60  19.83 +/- 1.77  11.111% * 23.3294% (0.92   0.02   0.02) =  12.680%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.03 +/- 1.82  10.114% * 20.2366% (0.80   0.02   0.02) =  10.013%  kept
          HN    TRP   27 - HB3   PHE   60  17.81 +/- 1.07  19.818% *  8.6206% (0.34   0.02   0.02) =   8.357%  kept
          HN    GLU-  36 - HB3   PHE   60  22.84 +/- 1.65   4.572% * 23.9067% (0.95   0.02   0.02) =   5.347%  kept
    Distance limit 3.56 A violated in 20 structures by 9.97 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.31, residual support = 5.56:
          HA    LYS+  81 - QB    ALA   84   2.49 +/- 0.42  99.935% * 58.7586% (0.33  1.00   2.31   5.56) =  99.995%  kept
        T HA    ASN   28 - QB    ALA   84  11.30 +/- 0.47   0.021% * 13.7633% (0.89 10.00   0.02   0.02) =   0.005%
        T HA    ALA   34 - QB    ALA   84  17.80 +/- 0.66   0.001% * 11.3944% (0.74 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.00 +/- 1.21   0.034% *  0.2300% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  14.88 +/- 1.00   0.004% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  16.14 +/- 1.53   0.002% *  1.3371% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  17.01 +/- 1.82   0.002% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  25.88 +/- 2.09   0.000% * 11.3944% (0.74 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  17.70 +/- 1.99   0.001% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  21.70 +/- 0.55   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 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 +/- 0.04  52.038% * 37.5505% (0.15  1.00   2.33  20.74) =  94.189%  kept
          HA    ASP-  86 - QB    ALA   84   6.50 +/- 0.08   2.034% * 51.2592% (0.84  1.00   0.57   0.02) =   5.025%  kept
          HB    THR   77 - QB    ALA   84   4.48 +/- 2.04  44.163% *  0.3223% (0.15  1.00   0.02   0.02) =   0.686%  kept
        T HA    ASP-  44 - QB    ALA   84   9.20 +/- 0.89   0.289% *  4.1336% (0.19 10.00   0.02   0.02) =   0.058%
          HA    TRP   87 - QB    ALA   84   6.86 +/- 0.15   1.466% *  0.5808% (0.27  1.00   0.02   0.02) =   0.041%
          HA    LEU  104 - QB    ALA   84  17.27 +/- 1.41   0.006% *  2.0158% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  22.48 +/- 2.19   0.002% *  1.9282% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  27.16 +/- 2.21   0.001% *  1.7447% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  29.54 +/- 2.40   0.000% *  0.4650% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.19, residual support = 17.9:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.05  99.950% * 98.8488% (0.30  10.0   4.19  17.91) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.78 +/- 0.60   0.032% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84   9.18 +/- 0.52   0.012% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  11.26 +/- 1.25   0.004% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.85 +/- 1.09   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  14.92 +/- 2.01   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  17.41 +/- 0.97   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.72 +/- 0.13  98.087% * 98.8043% (0.77   3.87  20.74) =  99.996%  kept
          HN    LEU   80 - QB    ALA   84   5.55 +/- 0.63   1.892% *  0.1969% (0.30   0.02   0.02) =   0.004%
          HN    GLN   32 - QB    ALA   84  14.88 +/- 0.53   0.004% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  12.34 +/- 1.38   0.015% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  16.42 +/- 0.64   0.002% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 0.02, residual support = 24.2:
          HN    LEU  123 - QB    ALA  120   3.93 +/- 0.13  95.613% * 42.6516% (0.94   0.02  24.92) =  97.268%  kept
          HN    ALA  124 - QB    ALA  120   6.59 +/- 0.24   4.379% * 26.1005% (0.57   0.02   0.02) =   2.726%  kept
          HE21  GLN   17 - QB    ALA  120  19.50 +/- 2.37   0.008% * 31.2479% (0.69   0.02   0.02) =   0.006%
    Distance limit 2.74 A violated in 20 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.54, residual support = 6.83:
        T HA    SER  117 - QB    ALA  120   2.55 +/- 0.38  99.981% * 99.1094% (0.54 10.00   2.54   6.83) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.31 +/- 0.75   0.008% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  18.04 +/- 3.76   0.003% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.95 +/- 2.87   0.007% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  19.40 +/- 2.39   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  25.29 +/- 1.73   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  25.36 +/- 1.85   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.02, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.05 +/- 0.08  99.857% * 99.3531% (0.97  10.0   4.02  18.01) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.73 +/- 2.14   0.105% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  10.66 +/- 2.91   0.030% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.78 +/- 2.16   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  17.60 +/- 2.24   0.001% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.36 +/- 1.33   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.06 +/- 1.66   0.002% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.62 +/- 1.12   0.000% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.13 +/- 1.44   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.79 +/- 2.25   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.73 +/- 0.98   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.72 +/- 1.89   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.64 +/- 0.29  98.940% * 99.6796% (0.87  10.0   2.12   9.59) =  99.999%  kept
          HN    PHE   45 - QB    ALA  110   9.07 +/- 2.16   0.907% *  0.0743% (0.65   1.0   0.02   0.02) =   0.001%
          HN    PHE   45 - QB    ALA   61  10.23 +/- 1.02   0.037% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.05 +/- 2.17   0.043% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.88 +/- 2.29   0.018% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.70 +/- 1.02   0.055% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  19.44 +/- 1.21   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.78 +/- 2.27   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 2.77, residual support = 8.23:
          HN    ASP-  62 - QB    ALA   61   2.86 +/- 0.15  90.106% * 87.3413% (1.00   2.79   8.31) =  99.061%  kept
          HN    PHE   55 - QB    ALA  110   6.74 +/- 3.90   7.808% *  9.4460% (0.33   0.91   0.19) =   0.928%  kept
          HN    ARG+  54 - QB    ALA  110   7.81 +/- 3.55   1.482% *  0.4030% (0.64   0.02   0.02) =   0.008%
          HN    ASP-  62 - QB    ALA  110  11.38 +/- 2.62   0.463% *  0.4636% (0.74   0.02   0.02) =   0.003%
          HN    ARG+  54 - QB    ALA   61   9.79 +/- 1.08   0.068% *  0.5446% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   9.72 +/- 0.95   0.069% *  0.2815% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  17.29 +/- 0.96   0.002% *  0.6154% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.63 +/- 1.96   0.001% *  0.4554% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.73 +/- 0.99   0.001% *  0.2581% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.32 +/- 1.80   0.000% *  0.1910% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.832, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.25 +/- 1.56  33.702% * 28.1529% (1.00   0.02   0.02) =  42.338%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.44 +/- 0.94  42.119% * 21.5631% (0.76   0.02   0.02) =  40.526%  kept
          HA    ALA   12 - HB2   ASP-  62  24.22 +/- 1.66   8.386% * 18.2527% (0.65   0.02   0.02) =   6.830%  kept
          HA    TRP   87 - HB2   ASP-  62  23.21 +/- 1.86  11.161% * 12.6499% (0.45   0.02   0.02) =   6.300%  kept
          HA    ASP-  86 - HB2   ASP-  62  26.64 +/- 1.63   4.632% * 19.3814% (0.69   0.02   0.02) =   4.006%  kept
    Distance limit 3.41 A violated in 20 structures by 12.46 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.77, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  26.28 +/- 1.75   5.118% * 70.6236% (0.67 10.00   0.02   0.02) =  31.880%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.46 +/- 0.88  42.075% *  7.8573% (0.75  1.00   0.02   0.02) =  29.161%  kept
          HA    LEU  104 - HB3   ASP-  62  19.45 +/- 1.54  32.085% * 10.2586% (0.98  1.00   0.02   0.02) =  29.034%  kept
          HA    TRP   87 - HB3   ASP-  62  22.89 +/- 1.95  12.394% *  4.6095% (0.44  1.00   0.02   0.02) =   5.039%  kept
          HA    ALA   12 - HB3   ASP-  62  24.29 +/- 1.57   8.328% *  6.6511% (0.63  1.00   0.02   0.02) =   4.886%  kept
    Distance limit 3.14 A violated in 20 structures by 12.75 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.991, residual support = 3.72:
          HN    LYS+  65 - HA    ASP-  62   3.44 +/- 0.20 100.000% *100.0000% (0.15   0.99   3.72) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.79 +/- 0.02  99.989% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.98 +/- 0.93   0.005% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.24 +/- 0.88   0.006% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  22.30 +/- 0.73   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  23.36 +/- 0.77   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.09 +/- 0.56  99.859% * 98.7157% (0.97   5.25  42.54) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.67 +/- 0.85   0.110% *  0.3493% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  13.71 +/- 1.74   0.029% *  0.2049% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  22.42 +/- 1.40   0.001% *  0.1896% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  24.16 +/- 0.91   0.001% *  0.2049% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  25.39 +/- 0.94   0.000% *  0.2675% (0.69   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.95 +/- 1.15   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.76 +/- 0.43  99.992% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.05 +/- 1.04   0.007% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  24.26 +/- 0.96   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  23.09 +/- 0.84   0.000% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   3.10 +/- 0.48  99.841% * 98.7157% (0.95   5.25  42.54) =  99.999%  kept
          HN    ILE   56 - HB3   ASP-  62  10.12 +/- 0.83   0.126% *  0.3493% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.46 +/- 1.84   0.031% *  0.2049% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  22.10 +/- 1.36   0.001% *  0.1896% (0.48   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.74 +/- 0.94   0.001% *  0.2049% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  25.14 +/- 0.91   0.000% *  0.2675% (0.67   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.86 +/- 0.98   0.000% *  0.0682% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 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   2.36 +/- 0.35  99.990% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.42 +/- 1.02   0.004% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.36 +/- 1.01   0.006% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.98 +/- 0.78   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  24.42 +/- 0.85   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.992, support = 2.29, residual support = 6.02:
          QB    LYS+  66 - HA    LEU   63   2.58 +/- 0.35  97.442% * 51.8250% (1.00   2.27   6.11) =  98.067%  kept
          QB    LYS+  65 - HA    LEU   63   5.19 +/- 0.28   2.168% * 45.8768% (0.57   3.54   1.31) =   1.931%  kept
          HG    LEU  123 - HA    LEU   63   8.91 +/- 3.81   0.354% *  0.2590% (0.57   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    LEU   63  12.80 +/- 1.74   0.024% *  0.2407% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.86 +/- 1.88   0.005% *  0.4103% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.94 +/- 1.11   0.004% *  0.4328% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  17.07 +/- 1.25   0.002% *  0.3821% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.44 +/- 1.68   0.001% *  0.3143% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.98 +/- 0.99   0.001% *  0.2590% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.535, support = 1.6, residual support = 6.23:
          HN    LYS+  66 - HA    LEU   63   3.35 +/- 0.24  96.634% * 46.8528% (0.53   1.61   6.11) =  97.863%  kept
          QD    PHE   60 - HA    LEU   63   6.71 +/- 0.51   1.899% * 51.9513% (0.97   0.97  11.65) =   2.132%  kept
          QE    PHE   59 - HA    LEU   63   7.49 +/- 1.49   1.466% *  0.1497% (0.14   0.02   0.10) =   0.005%
          HN    LYS+  81 - HA    LEU   63  25.07 +/- 1.00   0.001% *  1.0462% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.6:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.04  99.979% * 99.6457% (1.00  10.0   7.54 242.55) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.13 +/- 0.66   0.010% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.24 +/- 1.77   0.010% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  23.01 +/- 1.19   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  20.31 +/- 1.86   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  23.16 +/- 1.19   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  26.75 +/- 1.20   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.6:
        T HA    PHE   60 - HB2   LEU   63   2.90 +/- 0.53  99.140% * 98.4768% (0.49 10.00   1.50  11.65) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63   9.93 +/- 3.01   0.230% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  10.66 +/- 1.58   0.100% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.12 +/- 2.86   0.080% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.85 +/- 0.20   0.382% *  0.0472% (0.18  1.00   0.02   1.31) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.90 +/- 1.35   0.026% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.79 +/- 0.77   0.035% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.78 +/- 1.24   0.004% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.05 +/- 1.31   0.003% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  21.36 +/- 1.31   0.001% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.24, residual support = 54.3:
          HN    ALA   64 - HB2   LEU   63   3.07 +/- 0.31 100.000% *100.0000% (0.57   7.24  54.30) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.74, residual support = 17.1:
          QE    PHE   72 - HB2   LEU   63   4.51 +/- 1.40  99.552% * 99.3716% (0.99   2.74  17.13) =  99.999%  kept
          HN    ALA   47 - HB2   LEU   63  14.31 +/- 1.46   0.416% *  0.3278% (0.45   0.02   0.02) =   0.001%
          HD22  ASN   28 - HB2   LEU   63  20.50 +/- 1.20   0.032% *  0.3006% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 6 structures by 0.86 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.98, residual support = 242.6:
      O   HN    LEU   63 - HB2   LEU   63   2.10 +/- 0.09  99.990% * 99.6457% (1.00  10.0   7.98 242.55) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  10.93 +/- 0.77   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.27 +/- 1.66   0.004% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  20.58 +/- 1.16   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  18.34 +/- 1.60   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  21.36 +/- 1.25   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.97 +/- 1.24   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.40 +/- 0.12  99.725% * 98.5503% (0.76   4.54  42.54) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.30 +/- 0.92   0.145% *  0.5090% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.10 +/- 0.99   0.103% *  0.2333% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  19.01 +/- 1.05   0.017% *  0.4740% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  20.58 +/- 1.58   0.011% *  0.2333% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.68, residual support = 54.3:
          HN    ALA   64 - HB3   LEU   63   3.76 +/- 0.47 100.000% *100.0000% (0.57   6.68  54.30) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.1, residual support = 17.1:
        T HZ    PHE   72 - HB3   LEU   63   4.88 +/- 1.78  99.799% * 99.9822% (0.87 10.00   3.10  17.13) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  17.52 +/- 1.52   0.201% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 10 structures by 1.24 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.6, residual support = 242.6:
      O   HN    LEU   63 - HB3   LEU   63   3.37 +/- 0.09  99.900% * 99.6457% (1.00  10.0   7.60 242.55) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.49 +/- 0.82   0.041% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  12.90 +/- 1.54   0.050% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  18.45 +/- 1.95   0.005% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  21.13 +/- 1.37   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  21.45 +/- 1.50   0.002% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  25.50 +/- 1.54   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.58, residual support = 242.5:
          HN    LEU   63 - HG    LEU   63   3.17 +/- 0.31  94.434% * 98.9447% (0.76   7.58 242.55) =  99.996%  kept
          QE    PHE   60 - HG    LEU   63   6.40 +/- 1.59   5.411% *  0.0676% (0.20   0.02  11.65) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  12.77 +/- 2.42   0.105% *  0.0950% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - HG    LEU   63  11.71 +/- 0.87   0.043% *  0.2211% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  18.33 +/- 2.44   0.004% *  0.2611% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  21.39 +/- 2.16   0.001% *  0.3154% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.83 +/- 2.04   0.002% *  0.0950% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.14, support = 3.13, residual support = 11.6:
        T HA    PHE   60 - QD1   LEU   63   2.87 +/- 0.71  92.436% * 81.5430% (0.14 10.00   3.15  11.65) =  99.374%  kept
          HA    ALA  120 - QD1   LEU   63   8.14 +/- 2.65   5.616% *  8.3199% (0.95  1.00   0.29   0.02) =   0.616%  kept
          QB    SER  117 - QD1   LEU   63   7.89 +/- 1.34   0.821% *  0.3655% (0.61  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD1   LEU   63   9.41 +/- 2.44   0.230% *  0.5562% (0.92  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD1   LEU   63   9.50 +/- 1.82   0.148% *  0.5815% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.23 +/- 0.35   0.216% *  0.3411% (0.57  1.00   0.02   1.31) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  11.17 +/- 1.70   0.048% *  0.8154% (0.14 10.00   0.02   0.21) =   0.001%
          HB    THR   94 - QD1   LEU   73  10.76 +/- 1.17   0.049% *  0.5815% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU  104  10.29 +/- 4.94   0.168% *  0.1361% (0.23  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.02 +/- 0.56   0.045% *  0.3898% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  11.72 +/- 0.95   0.036% *  0.3898% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.35 +/- 1.13   0.023% *  0.3411% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.97 +/- 0.68   0.018% *  0.3898% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.49 +/- 0.88   0.009% *  0.6012% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.74 +/- 1.68   0.007% *  0.6012% (1.00  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.86 +/- 1.38   0.008% *  0.5226% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  12.82 +/- 4.12   0.029% *  0.1395% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  11.62 +/- 2.20   0.032% *  0.0895% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  13.24 +/- 1.46   0.014% *  0.1996% (0.03 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.38 +/- 3.35   0.004% *  0.5700% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.24 +/- 3.53   0.004% *  0.5562% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  15.99 +/- 2.21   0.005% *  0.3655% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.10 +/- 0.88   0.011% *  0.1423% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  16.83 +/- 1.59   0.003% *  0.3898% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.19 +/- 1.89   0.002% *  0.5226% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  15.03 +/- 1.81   0.008% *  0.0835% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.54 +/- 1.69   0.007% *  0.0954% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.93 +/- 1.50   0.003% *  0.0954% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.12 +/- 1.10   0.001% *  0.1472% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.16 +/- 1.62   0.000% *  0.1279% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 1.48, residual support = 8.66:
        T HZ3   TRP   27 - QD1   LEU   73   2.70 +/- 1.49  96.200% * 97.9132% (0.49 10.00   1.48   8.66) =  99.989%  kept
          HZ    PHE   45 - QD1   LEU   73   7.51 +/- 0.85   2.930% *  0.1971% (0.73  1.00   0.02   0.02) =   0.006%
        T HZ3   TRP   27 - QD1   LEU   63  11.56 +/- 1.62   0.263% *  1.3210% (0.49 10.00   0.02   0.02) =   0.004%
        T HZ3   TRP   27 - QD1   LEU  104  11.43 +/- 0.99   0.325% *  0.3234% (0.12 10.00   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU   63  11.17 +/- 1.78   0.182% *  0.1971% (0.73  1.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.61 +/- 1.04   0.100% *  0.0482% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.26 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.806, support = 1.22, residual support = 9.68:
          QD    PHE   60 - QD1   LEU   63   3.79 +/- 1.13  50.341% * 43.9741% (0.87   1.36  11.65) =  82.184%  kept
          QE    PHE   59 - QD1   LEU   63   4.73 +/- 2.58  44.543% *  9.8082% (0.49   0.54   0.10) =  16.220%  kept
          HN    LYS+  66 - QD1   LEU   63   6.22 +/- 0.18   0.972% * 42.9077% (0.95   1.22   6.11) =   1.548%  kept
          QE    PHE   59 - QD1   LEU   73  13.49 +/- 3.67   2.606% *  0.3631% (0.49   0.02   0.02) =   0.035%
          QD    PHE   60 - QD1   LEU   73   9.02 +/- 1.45   0.276% *  0.6470% (0.87   0.02   0.21) =   0.007%
          HN    PHE   59 - QD1   LEU   63   6.38 +/- 0.67   1.163% *  0.1306% (0.18   0.02   0.10) =   0.006%
          HN    LYS+  66 - QD1   LEU   73  12.58 +/- 1.04   0.017% *  0.7056% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.88 +/- 0.73   0.013% *  0.3924% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.47 +/- 1.31   0.018% *  0.1584% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  13.28 +/- 1.88   0.016% *  0.1727% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.07 +/- 2.15   0.016% *  0.1306% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  12.97 +/- 2.99   0.014% *  0.0889% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.06 +/- 1.69   0.002% *  0.3924% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  16.77 +/- 1.48   0.003% *  0.0320% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.24 +/- 1.09   0.001% *  0.0961% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.752, support = 6.3, residual support = 237.7:
          HN    LEU   63 - QD1   LEU   63   3.71 +/- 0.26  71.784% * 90.6118% (0.76   6.40 242.55) =  97.919%  kept
          QE    PHE   60 - QD1   LEU   63   5.09 +/- 1.20  20.914% *  6.5412% (0.20   1.78  11.65) =   2.059%  kept
          HZ2   TRP   87 - QD1   LEU   73   8.06 +/- 2.98   2.120% *  0.2831% (0.76   0.02   0.02) =   0.009%
          HD21  ASN   28 - QD1   LEU   73   7.87 +/- 1.63   1.374% *  0.3420% (0.92   0.02   0.02) =   0.007%
          QE    PHE   60 - QD1   LEU   73   8.15 +/- 1.34   2.204% *  0.0733% (0.20   0.02   0.21) =   0.002%
          HN    LYS+ 111 - QD1   LEU   63   9.31 +/- 1.76   0.783% *  0.1030% (0.28   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   63   9.25 +/- 0.81   0.315% *  0.2396% (0.65   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   73  12.36 +/- 1.36   0.107% *  0.2831% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  11.45 +/- 0.65   0.091% *  0.1030% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  14.14 +/- 2.09   0.032% *  0.2831% (0.76   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.26 +/- 1.93   0.030% *  0.2396% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  13.85 +/- 3.23   0.053% *  0.0693% (0.19   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  16.91 +/- 1.72   0.009% *  0.3420% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  13.47 +/- 1.62   0.043% *  0.0693% (0.19   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.91 +/- 2.02   0.017% *  0.1030% (0.28   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.52 +/- 1.62   0.076% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  16.15 +/- 1.81   0.013% *  0.1030% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  16.58 +/- 1.13   0.011% *  0.0837% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.87 +/- 1.07   0.013% *  0.0252% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  19.04 +/- 1.26   0.005% *  0.0587% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  18.41 +/- 1.34   0.006% *  0.0252% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.81 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.22  20.80) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.784, support = 3.02, residual support = 39.4:
        T QD    PHE   72 - HA    ALA   64   3.00 +/- 0.50  63.167% * 60.4788% (0.87 10.00   3.12  39.44) =  72.439%  kept
        T HZ    PHE   72 - HA    ALA   64   3.52 +/- 0.68  36.822% * 39.4733% (0.57 10.00   2.76  39.44) =  27.561%  kept
          QE    PHE   45 - HA    ALA   64  12.81 +/- 0.92   0.011% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 0.978, residual support = 3.95:
          HN    LEU   67 - HA    ALA   64   3.21 +/- 0.21  99.167% * 80.6272% (0.87   0.98   3.96) =  99.866%  kept
          QE    PHE   95 - HA    ALA   64   8.41 +/- 1.65   0.794% * 13.4756% (0.98   0.14   0.02) =   0.134%
          HE3   TRP   27 - HA    ALA   64  14.14 +/- 0.87   0.016% *  1.0750% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.78 +/- 1.11   0.009% *  1.2284% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.78 +/- 0.60   0.004% *  1.8820% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  15.40 +/- 0.79   0.009% *  0.7127% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  21.90 +/- 1.68   0.001% *  0.9990% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.831, support = 2.35, residual support = 8.57:
          QG2   VAL   18 - QB    ALA   64   2.70 +/- 0.63  96.869% * 57.2250% (0.84   2.34   8.65) =  99.064%  kept
          QD2   LEU   73 - QB    ALA   64   6.26 +/- 0.58   1.283% * 40.4212% (0.38   3.68   0.34) =   0.927%  kept
          QD1   ILE   19 - QB    ALA   64   6.85 +/- 1.08   0.929% *  0.2196% (0.38   0.02   0.02) =   0.004%
          QG1   VAL   43 - QB    ALA   64   8.15 +/- 0.74   0.200% *  0.5734% (0.98   0.02   0.02) =   0.002%
          QG1   VAL   41 - QB    ALA   64   8.61 +/- 0.77   0.158% *  0.5798% (0.99   0.02   0.02) =   0.002%
          QG2   THR   46 - QB    ALA   64   8.63 +/- 1.13   0.178% *  0.4248% (0.73   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   8.01 +/- 1.21   0.346% *  0.1025% (0.18   0.02   0.02) =   0.001%
          HG    LEU   31 - QB    ALA   64  13.22 +/- 1.07   0.012% *  0.3078% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.19 +/- 1.05   0.024% *  0.1459% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.918, support = 1.21, residual support = 6.27:
          QB    ALA   61 - QB    ALA   64   3.94 +/- 0.28  55.883% * 19.0279% (0.92   1.21   7.45) =  64.548%  kept
          HB3   LEU   67 - QB    ALA   64   4.86 +/- 0.54  18.734% * 21.3534% (0.99   1.27   3.96) =  24.284%  kept
          QG    LYS+  66 - QB    ALA   64   6.08 +/- 0.41   4.395% * 19.9911% (0.98   1.20   6.86) =   5.334%  kept
          HG    LEU   67 - QB    ALA   64   5.13 +/- 0.85  16.538% *  3.1066% (0.28   0.66   3.96) =   3.119%  kept
          HG12  ILE   19 - QB    ALA   64   7.09 +/- 1.08   2.729% *  8.8838% (0.65   0.81   0.02) =   1.472%  kept
          HG    LEU   73 - QB    ALA   64   8.22 +/- 0.73   0.769% * 26.4790% (0.87   1.80   0.34) =   1.236%  kept
          QB    ALA  110 - QB    ALA   64  11.56 +/- 2.10   0.242% *  0.2467% (0.73   0.02   0.02) =   0.004%
          HG    LEU   40 - QB    ALA   64   9.58 +/- 1.06   0.342% *  0.1275% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  10.54 +/- 1.08   0.173% *  0.1275% (0.38   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    ALA   64  13.17 +/- 2.84   0.140% *  0.0524% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    ALA   64  14.59 +/- 1.20   0.024% *  0.2596% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.43 +/- 1.67   0.010% *  0.2596% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  14.89 +/- 1.02   0.021% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.915, support = 1.88, residual support = 4.15:
          HB3   LEU   67 - HA    ALA   64   3.73 +/- 0.64  58.830% * 41.5457% (0.99   1.96   3.96) =  83.026%  kept
          HG    LEU   67 - HA    ALA   64   4.27 +/- 0.81  32.653% *  9.4832% (0.28   1.60   3.96) =  10.519%  kept
          QG    LYS+  66 - HA    ALA   64   6.16 +/- 0.54   4.671% * 32.0742% (0.98   1.53   6.86) =   5.090%  kept
          QB    ALA   61 - HA    ALA   64   6.46 +/- 0.23   2.700% * 14.7930% (0.92   0.75   7.45) =   1.357%  kept
          HG12  ILE   19 - HA    ALA   64   9.29 +/- 1.26   0.366% *  0.2764% (0.65   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    ALA   64  10.19 +/- 0.93   0.173% *  0.3707% (0.87   0.02   0.34) =   0.002%
          HG    LEU   40 - HA    ALA   64   9.89 +/- 1.19   0.259% *  0.1604% (0.38   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ALA   64  14.26 +/- 3.73   0.239% *  0.0659% (0.15   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ALA   64  14.36 +/- 2.30   0.046% *  0.3103% (0.73   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   64  12.74 +/- 1.35   0.051% *  0.1604% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.79 +/- 1.37   0.005% *  0.3266% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.55 +/- 2.03   0.004% *  0.3266% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.09 +/- 1.07   0.004% *  0.1066% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.764, support = 2.79, residual support = 39.4:
        T HB3   PHE   72 - QB    ALA   64   3.24 +/- 0.69  94.425% * 99.3598% (0.76 10.00   2.79  39.44) =  99.993%  kept
          HB2   ASP-  44 - QB    ALA   64   6.12 +/- 0.86   3.947% *  0.1128% (0.87  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - QB    ALA   64   7.60 +/- 0.64   1.057% *  0.1230% (0.95  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QB    ALA   64   9.90 +/- 0.73   0.169% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   9.13 +/- 1.54   0.357% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  16.05 +/- 1.03   0.012% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  15.52 +/- 1.50   0.013% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  15.06 +/- 1.52   0.014% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.73 +/- 1.22   0.005% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.6, residual support = 7.45:
        T HA    ALA   61 - QB    ALA   64   2.66 +/- 0.43  99.524% * 99.8142% (1.00 10.00   2.60   7.45) = 100.000%  kept
          HD2   PRO   68 - QB    ALA   64   7.27 +/- 0.34   0.378% *  0.0923% (0.92  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   64   9.38 +/- 0.57   0.062% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.82 +/- 0.53   0.032% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  15.28 +/- 0.91   0.005% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.65:
          HA    VAL   18 - QB    ALA   64   3.55 +/- 0.60  97.819% * 92.8641% (0.90   1.84   8.65) =  99.988%  kept
          HA    VAL   70 - QB    ALA   64   7.70 +/- 0.98   1.855% *  0.4639% (0.41   0.02   0.02) =   0.009%
          HA    GLN  116 - QB    ALA   64  11.29 +/- 1.92   0.202% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    SER   48 - QB    ALA   64  14.85 +/- 1.51   0.032% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  15.19 +/- 0.87   0.022% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.05 +/- 1.22   0.029% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  16.15 +/- 0.70   0.015% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.54 +/- 0.79   0.013% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  18.39 +/- 2.20   0.009% *  0.8623% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.99 +/- 0.78   0.004% *  1.0674% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 2 structures by 0.22 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.45:
        T HA    GLN   17 - QB    ALA   64   3.21 +/- 0.37  99.164% * 94.1692% (0.49 10.00   1.22   2.45) =  99.978%  kept
        T HA    VAL   42 - QB    ALA   64   7.93 +/- 0.85   0.626% *  3.1009% (0.98 10.00   0.02   0.02) =   0.021%
        T HA    PHE   55 - QB    ALA   64  13.10 +/- 1.44   0.040% *  2.1731% (0.69 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - QB    ALA   64  10.77 +/- 1.16   0.103% *  0.1301% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  13.07 +/- 2.42   0.042% *  0.1187% (0.38  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  16.77 +/- 2.30   0.015% *  0.1540% (0.49  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.46 +/- 0.87   0.010% *  0.1540% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.65:
          HN    VAL   18 - QB    ALA   64   3.42 +/- 0.42  99.953% * 99.5979% (1.00   2.25   8.65) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.58 +/- 0.86   0.033% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.57 +/- 0.70   0.014% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 5.06, residual support = 39.4:
        T QD    PHE   72 - QB    ALA   64   2.26 +/- 0.40  96.591% * 85.8764% (0.87 10.00   5.06  39.44) =  99.429%  kept
          HZ    PHE   72 - QB    ALA   64   4.55 +/- 0.67   3.390% * 14.0556% (0.57  1.00   5.02  39.44) =   0.571%  kept
          QE    PHE   45 - QB    ALA   64  10.30 +/- 0.75   0.019% *  0.0680% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.04 +/- 0.08 100.000% *100.0000% (0.57  10.0   4.22  20.80) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.09, residual support = 163.6:
      O   HN    LYS+  65 - HA    LYS+  65   2.81 +/- 0.03  99.995% * 99.9887% (0.71  10.0   6.09 163.64) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.60 +/- 2.52   0.005% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.844, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.72 +/- 1.07  71.944% * 34.8898% (0.87   0.02   0.02) =  96.326%  kept
          HN    SER  117 - HA    LYS+ 121   8.04 +/- 0.56  27.655% *  3.1809% (0.08   0.02   0.02) =   3.376%  kept
          HN    SER  117 - HA    LYS+  65  17.59 +/- 1.21   0.238% * 28.1870% (0.71   0.02   0.02) =   0.257%
          HN    GLY   16 - HA    LYS+ 121  20.13 +/- 3.72   0.134% *  3.9373% (0.10   0.02   0.02) =   0.020%
          HN    SER   82 - HA    LYS+  65  27.01 +/- 1.06   0.018% * 26.7825% (0.67   0.02   0.02) =   0.019%
          HN    SER   82 - HA    LYS+ 121  30.27 +/- 2.16   0.010% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 20 structures by 2.92 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   2.70 +/- 0.18 100.000% *100.0000% (0.31   4.73  27.93) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.02, residual support = 39.4:
          QE    PHE   72 - HA    ALA   64   2.50 +/- 0.38  99.999% * 99.3374% (0.65   4.02  39.44) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.80 +/- 0.96   0.001% *  0.6626% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.74, residual support = 3.72:
          HA    ASP-  62 - QB    LYS+  65   2.43 +/- 0.44  99.996% * 97.7702% (0.80   1.74   3.72) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.98 +/- 1.28   0.003% *  0.3122% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  20.19 +/- 1.02   0.001% *  0.7940% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  25.89 +/- 1.22   0.000% *  0.9072% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.74 +/- 0.85   0.000% *  0.2164% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.61, residual support = 163.6:
      O   HN    LYS+  65 - QB    LYS+  65   2.23 +/- 0.14 100.000% *100.0000% (0.76  10.0   6.61 163.64) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.91, residual support = 24.9:
          HN    LYS+  66 - QB    LYS+  65   3.04 +/- 0.13  99.241% * 98.7016% (0.53   5.91  24.94) =  99.996%  kept
          QD    PHE   60 - QB    LYS+  65   7.25 +/- 0.61   0.634% *  0.6123% (0.97   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  65   9.45 +/- 0.64   0.125% *  0.0859% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.65 +/- 0.94   0.000% *  0.6002% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.43, residual support = 163.6:
          HN    LYS+  65 - HG2   LYS+  65   2.99 +/- 0.65 100.000% *100.0000% (0.31   5.43 163.64) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.86, support = 5.25, residual support = 159.6:
      O T HA    LYS+  65 - HG3   LYS+  65   2.99 +/- 0.59  94.952% * 57.2471% (0.87  10.0 10.00   5.27 163.64) =  97.367%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.95 +/- 0.83   3.753% * 39.1477% (0.59   1.0 10.00   4.19  11.35) =   2.631%  kept
          HA2   GLY   16 - HG3   LYS+  65   7.24 +/- 1.49   0.972% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 102  14.07 +/- 1.88   0.020% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  18.40 +/- 1.44   0.003% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  13.11 +/- 3.27   0.026% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.04 +/- 1.29   0.163% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.33 +/- 1.63   0.002% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  19.50 +/- 5.63   0.008% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  23.91 +/- 2.10   0.001% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.30 +/- 1.32   0.003% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.15 +/- 1.93   0.002% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  15.46 +/- 1.31   0.009% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.59 +/- 2.91   0.020% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  18.09 +/- 2.02   0.004% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  15.21 +/- 2.22   0.010% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.52 +/- 1.58   0.000% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  16.27 +/- 2.89   0.009% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  23.66 +/- 2.98   0.003% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.13 +/- 1.91   0.002% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  15.36 +/- 2.49   0.008% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  20.05 +/- 3.08   0.002% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  20.31 +/- 1.32   0.002% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  22.54 +/- 4.70   0.003% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  20.48 +/- 2.99   0.002% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.34 +/- 2.79   0.002% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  26.64 +/- 3.59   0.001% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  25.29 +/- 2.70   0.001% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  25.62 +/- 4.21   0.001% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  19.96 +/- 2.58   0.002% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  18.84 +/- 1.79   0.003% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.37 +/- 1.67   0.001% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.30 +/- 2.07   0.001% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.00 +/- 1.30   0.002% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.50 +/- 0.94   0.002% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.04 +/- 1.36   0.002% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.62 +/- 1.25   0.001% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.92 +/- 1.74   0.001% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.11 +/- 1.77   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.38 +/- 1.89   0.000% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  26.16 +/- 3.82   0.000% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.87 +/- 1.95   0.000% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  26.87 +/- 1.49   0.000% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.38 +/- 1.51   0.000% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.7, residual support = 20.5:
          HN    ASP- 105 - HG3   LYS+ 106   4.20 +/- 0.22  99.049% * 91.2107% (0.34   2.70  20.53) =  99.988%  kept
          HN    ASP- 105 - HG3   LYS+ 102  10.03 +/- 0.97   0.687% *  1.3091% (0.65   0.02   0.02) =   0.010%
          HN    ALA   88 - HG3   LYS+ 106  13.63 +/- 3.19   0.162% *  0.4773% (0.24   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   LYS+  33  18.30 +/- 1.22   0.017% *  1.3891% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  19.03 +/- 1.19   0.013% *  1.6086% (0.80   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  18.95 +/- 3.49   0.021% *  0.9256% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.72 +/- 1.52   0.029% *  0.3100% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  21.66 +/- 1.36   0.006% *  0.9822% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  25.87 +/- 3.09   0.003% *  1.1374% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  19.27 +/- 1.14   0.012% *  0.1301% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  28.48 +/- 1.99   0.001% *  0.2677% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.37 +/- 1.72   0.001% *  0.2522% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.97, residual support = 113.3:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.04  99.918% * 99.6126% (0.53  10.0   4.97 113.34) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.33 +/- 0.50   0.049% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  11.38 +/- 1.11   0.033% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.77 +/- 0.86   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.95, residual support = 113.3:
      O   HN    LYS+  66 - QB    LYS+  66   2.22 +/- 0.13  99.898% * 99.6126% (0.53  10.0   4.95 113.34) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.12 +/- 0.41   0.045% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   8.50 +/- 1.13   0.057% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.73 +/- 0.86   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 113.3:
          HN    LYS+  66 - QG    LYS+  66   3.00 +/- 0.42  94.280% * 98.1496% (0.53   4.53 113.34) =  99.996%  kept
          HN    LYS+  66 - HG    LEU   67   5.55 +/- 0.79   5.065% *  0.0334% (0.04   0.02   9.87) =   0.002%
          QD    PHE   60 - QG    LYS+  66   8.67 +/- 0.57   0.182% *  0.7957% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   8.61 +/- 1.27   0.242% *  0.1116% (0.14   0.02   0.02) =   0.000%
          QD    PHE   60 - HG    LEU   67   9.08 +/- 1.26   0.187% *  0.0613% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  12.05 +/- 2.65   0.044% *  0.0086% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.34 +/- 1.11   0.000% *  0.7799% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  25.06 +/- 1.11   0.000% *  0.0600% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.64, residual support = 113.3:
          HN    LYS+  66 - QD    LYS+  66   4.20 +/- 0.13  95.716% * 98.1003% (0.53   4.65 113.34) =  99.994%  kept
          QD    PHE   60 - QD    LYS+  66  10.20 +/- 0.66   0.501% *  0.7748% (0.97   0.02   0.02) =   0.004%
          QE    PHE   59 - QD    LYS+  66   9.85 +/- 1.44   1.016% *  0.1087% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   9.32 +/- 2.03   2.153% *  0.0135% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  12.81 +/- 2.30   0.271% *  0.0963% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  13.75 +/- 3.41   0.339% *  0.0525% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.93 +/- 1.14   0.001% *  0.7595% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  27.59 +/- 2.32   0.001% *  0.0944% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.476, support = 3.25, residual support = 58.5:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  89.484% * 46.3097% (0.47  10.0 10.00   3.02  58.47) =  88.469%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.55 +/- 0.20  10.390% * 51.9824% (0.53  10.0  1.00   4.98  58.47) =  11.531%  kept
          QG    LYS+  66 - HB2   LEU   67   6.04 +/- 0.83   0.100% *  0.0598% (0.61   1.0  1.00   0.02   9.87) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.91 +/- 1.47   0.010% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.36 +/- 0.58   0.008% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.39 +/- 1.70   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  10.98 +/- 0.91   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.03 +/- 1.85   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.01 +/- 1.34   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.30 +/- 3.00   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  18.82 +/- 2.75   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.95 +/- 2.19   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.48 +/- 1.43   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 = 58.5:
      O T QD1   LEU   67 - HB2   LEU   67   2.25 +/- 0.20  99.237% * 98.6993% (0.70  10.0 10.00   3.25  58.47) =  99.998%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.68 +/- 1.45   0.144% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.04 +/- 1.03   0.609% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.48 +/- 1.59   0.004% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.17 +/- 1.71   0.004% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.33 +/- 0.90   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.55 +/- 1.37   0.002% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 58.5:
          HA    LEU   67 - QD2   LEU   67   2.76 +/- 0.51  99.996% * 98.8214% (0.53   2.76  58.47) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  16.56 +/- 1.23   0.004% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 58.5:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  99.503% * 96.8242% (0.73  10.0  1.00   2.96  58.47) =  99.998%  kept
        T HG    LEU   40 - QD1   LEU   67   7.18 +/- 1.46   0.172% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD1   LEU   67   7.07 +/- 1.56   0.193% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67  10.34 +/- 3.01   0.068% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.01 +/- 1.78   0.034% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.24 +/- 1.94   0.016% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  12.78 +/- 2.05   0.004% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  12.19 +/- 2.11   0.005% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.12 +/- 1.61   0.004% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.40 +/- 2.41   0.002% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 58.5:
      O T HB2   LEU   67 - QD1   LEU   67   2.25 +/- 0.20  97.213% * 98.3333% (0.31  10.0 10.00   3.25  58.47) =  99.995%  kept
          HG2   PRO   68 - QD1   LEU   67   6.39 +/- 1.13   0.852% *  0.2941% (0.92   1.0  1.00   0.02  18.77) =   0.003%
          QB    GLU-  15 - QD1   LEU   67   6.48 +/- 2.06   1.622% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD1   LEU   67   7.78 +/- 2.28   0.233% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU   67   8.98 +/- 2.21   0.062% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.81 +/- 2.27   0.009% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.09 +/- 2.10   0.005% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.93 +/- 1.00   0.002% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  16.29 +/- 2.68   0.002% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.62 +/- 1.87   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.08, residual support = 58.5:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  94.818% * 99.2738% (0.87  10.0  1.00   3.08  58.47) =  99.993%  kept
        T QD1   LEU   40 - HG    LEU   67   6.39 +/- 1.75   0.900% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   67 - QG    LYS+  66   5.76 +/- 1.45   1.655% *  0.0076% (0.07   1.0  1.00   0.02   9.87) =   0.000%
          QG2   ILE  119 - HG    LEU   67   9.16 +/- 3.64   0.378% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   5.73 +/- 2.68   2.212% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.13 +/- 1.46   0.037% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.497, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   8.86 +/- 1.99  84.223% * 12.0360% (0.22   0.02   0.02) =  58.315%  kept
          QG2   ILE   89 - QD1   LEU   67  13.49 +/- 1.28   9.593% * 52.9912% (0.98   0.02   0.02) =  29.243%  kept
          QG1   VAL   83 - QD1   LEU   67  15.15 +/- 1.72   6.184% * 34.9728% (0.65   0.02   0.02) =  12.442%  kept
    Distance limit 3.08 A violated in 20 structures by 5.47 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 3.52, residual support = 34.8:
        T HZ    PHE   72 - QD1   LEU   67   3.12 +/- 0.77  59.373% * 75.7718% (0.97 10.00   3.96  34.85) =  82.065%  kept
        T QD    PHE   72 - QD1   LEU   67   3.76 +/- 1.34  40.612% * 24.2087% (0.41 10.00   1.50  34.85) =  17.935%  kept
          QE    PHE   45 - QD1   LEU   67  11.67 +/- 1.38   0.014% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.15, residual support = 34.8:
          QE    PHE   72 - QD1   LEU   67   3.00 +/- 0.53  99.532% * 99.2789% (0.80   4.15  34.85) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.41 +/- 1.66   0.462% *  0.1846% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  15.84 +/- 1.64   0.006% *  0.5365% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.569, support = 0.02, residual support = 0.02:
          HA    ALA  124 - HG    LEU   67  14.39 +/- 6.51  19.318% *  6.6623% (0.84  1.00   0.02   0.02) =  39.584%  kept
        T HA    LEU  115 - HG    LEU   67  14.62 +/- 2.51   5.881% * 15.7849% (0.20 10.00   0.02   0.02) =  28.551%  kept
        T HA    ARG+  54 - HG    LEU   67  19.05 +/- 1.41   1.101% * 57.9196% (0.73 10.00   0.02   0.02) =  19.618%  kept
          HA    ALA  124 - QG    LYS+  66  11.14 +/- 4.52  41.017% *  0.5129% (0.06  1.00   0.02   0.02) =   6.470%  kept
          HA    GLU-  36 - HG    LEU   67  19.20 +/- 1.26   1.230% *  7.5452% (0.95  1.00   0.02   0.02) =   2.854%  kept
          HA    LEU  115 - QG    LYS+  66  11.40 +/- 1.14  24.547% *  0.1215% (0.02  1.00   0.02   0.02) =   0.917%  kept
          HA    ASN   28 - HG    LEU   67  19.03 +/- 1.38   1.291% *  1.7758% (0.22  1.00   0.02   0.02) =   0.705%  kept
          HA    LYS+  81 - HG    LEU   67  24.70 +/- 1.33   0.239% *  7.9057% (0.99  1.00   0.02   0.02) =   0.582%  kept
          HA    ARG+  54 - QG    LYS+  66  15.21 +/- 1.43   4.138% *  0.4459% (0.06  1.00   0.02   0.02) =   0.568%  kept
          HA    GLU-  36 - QG    LYS+  66  22.75 +/- 1.30   0.455% *  0.5808% (0.07  1.00   0.02   0.02) =   0.081%
          HA    LYS+  81 - QG    LYS+  66  24.69 +/- 1.33   0.245% *  0.6086% (0.08  1.00   0.02   0.02) =   0.046%
          HA    ASN   28 - QG    LYS+  66  21.93 +/- 1.32   0.535% *  0.1367% (0.02  1.00   0.02   0.02) =   0.022%
    Distance limit 3.87 A violated in 20 structures by 4.58 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.68, residual support = 58.5:
      O   HA    LEU   67 - HG    LEU   67   3.43 +/- 0.49  90.960% * 99.3233% (0.15  10.0   3.68  58.47) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.50 +/- 0.99   9.032% *  0.0076% (0.01   1.0   0.02   9.87) =   0.001%
          HA    ASP-  76 - HG    LEU   67  18.96 +/- 1.18   0.004% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.23 +/- 0.86   0.004% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.309, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - HG    LEU   67   9.08 +/- 1.26  29.558% *  5.4059% (0.18   0.02   0.02) =  40.481%  kept
          QE    PHE   95 - HG    LEU   67  10.93 +/- 2.36  13.488% * 11.5851% (0.38   0.02   0.02) =  39.586%  kept
          HE3   TRP   27 - HG    LEU   67  15.46 +/- 1.36   1.131% * 26.7757% (0.87   0.02   0.02) =   7.672%  kept
          QE    PHE   95 - QG    LYS+  66   9.89 +/- 1.49  18.811% *  0.8918% (0.03   0.02   0.02) =   4.250%  kept
          QD    PHE   60 - QG    LYS+  66   8.67 +/- 0.57  33.735% *  0.4162% (0.01   0.02   0.02) =   3.557%  kept
          QD    PHE   55 - HG    LEU   67  18.51 +/- 1.68   0.373% * 24.7171% (0.80   0.02   0.02) =   2.337%  kept
          QD    PHE   55 - QG    LYS+  66  14.02 +/- 1.18   1.971% *  1.9027% (0.06   0.02   0.02) =   0.950%  kept
          HN    THR   23 - HG    LEU   67  19.76 +/- 1.37   0.264% * 10.5293% (0.34   0.02   0.02) =   0.704%  kept
          HE3   TRP   27 - QG    LYS+  66  18.37 +/- 1.23   0.406% *  2.0612% (0.07   0.02   0.02) =   0.212%
          HN    LYS+  81 - HG    LEU   67  25.06 +/- 1.11   0.058% * 13.8391% (0.45   0.02   0.02) =   0.205%
          HN    THR   23 - QG    LYS+  66  21.54 +/- 0.91   0.147% *  0.8106% (0.03   0.02   0.02) =   0.030%
          HN    LYS+  81 - QG    LYS+  66  25.34 +/- 1.11   0.057% *  1.0653% (0.03   0.02   0.02) =   0.015%
    Distance limit 3.67 A violated in 20 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 3.02, residual support = 58.5:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.902% * 95.9469% (0.29  10.0 10.00   3.02  58.47) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.27 +/- 0.57   0.060% *  0.2870% (0.87   1.0  1.00   0.02  18.77) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.86 +/- 0.98   0.002% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   7.30 +/- 1.00   0.028% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67   9.37 +/- 1.18   0.006% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.02 +/- 2.02   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.38 +/- 1.40   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  17.01 +/- 0.78   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.26 +/- 1.89   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.73 +/- 0.94   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  18.92 +/- 0.85 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 15.35 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.19, residual support = 58.5:
      O   HN    LEU   67 - HB3   LEU   67   3.26 +/- 0.48  99.881% * 99.4441% (0.54  10.0   4.19  58.47) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  10.99 +/- 1.55   0.107% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  17.61 +/- 0.97   0.005% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  19.65 +/- 1.34   0.003% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.50 +/- 0.77   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  25.15 +/- 1.62   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 58.5:
      O   HA    LEU   67 - HB2   LEU   67   2.76 +/- 0.21  99.999% * 99.8354% (0.38  10.0   5.08  58.47) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.36 +/- 0.95   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.1, residual support = 34.8:
          QE    PHE   72 - HB2   LEU   67   2.62 +/- 0.49  99.920% * 99.0372% (0.58   3.10  34.85) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.05 +/- 1.43   0.079% *  0.2465% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  18.83 +/- 1.45   0.001% *  0.7163% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.82, residual support = 58.5:
      O   HN    LEU   67 - HB2   LEU   67   2.48 +/- 0.46  99.940% * 99.6033% (0.70  10.0   4.82  58.47) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.27 +/- 1.73   0.053% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  17.23 +/- 0.90   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  15.14 +/- 1.11   0.004% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.33 +/- 0.74   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  20.38 +/- 1.45   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.72 +/- 1.19   0.001% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.35 +/- 1.70   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 34.8:
        T HZ    PHE   72 - HB2   LEU   67   3.22 +/- 0.69  99.994% * 99.9822% (0.63 10.00   2.96  34.85) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  17.55 +/- 1.27   0.006% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.558, support = 4.0, residual support = 64.5:
      O T HA    VAL   24 - HB    VAL   24   2.67 +/- 0.31  89.741% * 82.3820% (0.57  10.0 10.00   3.97  65.14) =  97.778%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.11  10.255% * 16.3856% (0.11  10.0  1.00   5.47  35.27) =   2.222%  kept
          HA    LYS+  38 - HB2   PRO   68  15.84 +/- 1.23   0.003% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  25.45 +/- 0.97   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.71 +/- 0.67   0.000% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.90 +/- 1.56   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.25, residual support = 65.1:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.990% * 98.0584% (0.63  10.0 10.00   3.25  65.14) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.32 +/- 0.49   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.34 +/- 0.39   0.004% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.42 +/- 2.86   0.001% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  23.76 +/- 0.88   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.56 +/- 1.27   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.35 +/- 2.74   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.95 +/- 1.59   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.49 +/- 1.41   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.99 +/- 0.82   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.64 +/- 2.15   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.97 +/- 2.14   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 5.83, residual support = 32.0:
      O   HN    ASN   69 - HB2   PRO   68   3.40 +/- 0.58  49.802% * 68.4110% (0.34  10.0   5.85  31.44) =  79.373%  kept
          HN    GLU-  25 - HB    VAL   24   3.39 +/- 0.67  47.951% * 17.8501% (0.31   1.0   5.87  34.70) =  19.941%  kept
          HN    ASN   28 - HB    VAL   24   5.76 +/- 0.21   2.216% * 13.3010% (0.66   1.0   2.03  11.93) =   0.687%  kept
          HN    ASP-  44 - HB    VAL   24  13.17 +/- 1.34   0.026% *  0.0660% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.18 +/- 0.73   0.003% *  0.0810% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  23.64 +/- 0.97   0.001% *  0.1606% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  25.41 +/- 1.08   0.000% *  0.0557% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  27.36 +/- 1.11   0.000% *  0.0746% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.1:
      O   HN    VAL   24 - HB    VAL   24   2.46 +/- 0.20 100.000% * 99.8774% (0.33  10.0   4.68  65.14) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  27.35 +/- 1.00   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.06, residual support = 35.3:
      O   HD3   PRO   68 - HG2   PRO   68   2.51 +/- 0.29  99.996% * 99.5120% (0.57  10.0   3.06  35.27) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  16.06 +/- 1.48   0.003% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  21.30 +/- 1.11   0.000% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.23 +/- 1.82   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  24.37 +/- 1.67   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  25.65 +/- 2.35   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 35.3:
      O   HD2   PRO   68 - HG2   PRO   68   2.67 +/- 0.27  99.984% * 99.8205% (0.63  10.0   2.91  35.27) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.87 +/- 1.18   0.013% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  16.12 +/- 2.16   0.003% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.88 +/- 1.17   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  25.28 +/- 1.08   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.714, support = 4.79, residual support = 61.8:
      O   HD3   PRO   68 - HG3   PRO   68   2.69 +/- 0.29  52.427% * 72.5512% (0.84  10.0  1.00   4.80  35.27) =  78.813%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.77 +/- 0.17  43.820% * 23.1266% (0.27  10.0 10.00   4.78 161.90) =  20.998%  kept
          QB    PHE   55 - HG2   ARG+  54   5.80 +/- 1.25   2.919% *  3.1129% (0.20   1.0  1.00   3.51   3.25) =   0.188%
          HB3   CYS   53 - HG2   ARG+  54   5.90 +/- 0.86   0.788% *  0.0227% (0.26   1.0  1.00   0.02  31.87) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.97 +/- 1.62   0.028% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.02 +/- 1.36   0.016% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.11 +/- 2.14   0.000% *  0.8667% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.38 +/- 1.56   0.001% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.65 +/- 1.26   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.51 +/- 1.78   0.000% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.59 +/- 1.67   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.75 +/- 1.40   0.000% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 35.3:
      O   HD2   PRO   68 - HG3   PRO   68   2.50 +/- 0.28  99.758% * 99.5569% (0.92  10.0  1.00   4.63  35.27) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.58 +/- 1.12   0.221% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  13.14 +/- 0.96   0.006% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.56 +/- 1.72   0.003% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  12.64 +/- 1.36   0.010% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  19.25 +/- 1.16   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  25.13 +/- 0.91   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.28 +/- 1.28   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.42 +/- 2.15   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.25 +/- 1.77   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 35.3:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.282% * 98.5022% (0.98  10.0 10.00   5.16  35.27) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.44 +/- 0.65   0.577% *  0.0070% (0.07   1.0  1.00   0.02  40.18) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.74 +/- 0.67   0.102% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.71 +/- 1.95   0.004% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.12 +/- 1.29   0.018% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.36 +/- 1.44   0.017% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.78 +/- 1.27   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  22.75 +/- 1.62   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  17.00 +/- 0.91   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  20.19 +/- 1.08   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.63 +/- 1.79   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.43 +/- 2.02   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.16, residual support = 35.3:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.993% * 99.4504% (0.92  10.0 10.00   5.16  35.27) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.96 +/- 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  10.71 +/- 1.95   0.004% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  17.00 +/- 0.91   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.76 +/- 1.93   0.001% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  22.75 +/- 1.62   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.12 +/- 1.40   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  24.01 +/- 0.87   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.10 +/- 1.09   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.83 +/- 0.90   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.1, residual support = 18.8:
      O   HA    LEU   67 - HD3   PRO   68   2.18 +/- 0.26  99.992% * 99.7870% (0.53  10.0   5.10  18.77) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.47 +/- 1.28   0.008% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.05 +/- 0.88   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.25 +/- 1.46   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 18.8:
      O   HA    LEU   67 - HD2   PRO   68   2.31 +/- 0.13  99.998% * 99.8155% (0.53  10.0   4.53  18.77) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  21.92 +/- 1.05   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  15.58 +/- 1.24   0.001% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  16.02 +/- 0.59   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 61.2:
      O   HD21  ASN   69 - HB2   ASN   69   3.17 +/- 0.48  99.860% * 99.5864% (0.65  10.0   3.63  61.20) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.01 +/- 0.85   0.132% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.44 +/- 1.11   0.005% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  23.16 +/- 2.30   0.001% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  25.93 +/- 1.26   0.001% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  27.96 +/- 1.63   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.38, residual support = 61.2:
      O   HN    ASN   69 - HB2   ASN   69   3.49 +/- 0.39  99.965% * 99.9414% (0.97  10.0   5.38  61.20) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.42 +/- 1.38   0.033% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  21.19 +/- 1.04   0.003% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 61.2:
      O   HD21  ASN   69 - HB3   ASN   69   2.77 +/- 0.58  99.898% * 99.7810% (0.99  10.0   3.59  61.20) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  10.06 +/- 0.96   0.101% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  26.10 +/- 1.17   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  23.33 +/- 2.17   0.001% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.87, residual support = 61.2:
      O   HN    ASN   69 - HB3   ASN   69   3.17 +/- 0.41  99.981% * 99.9414% (0.97  10.0   4.87  61.20) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.65 +/- 1.45   0.018% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  21.59 +/- 0.99   0.001% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.39, residual support = 61.2:
          HD21  ASN   69 - HA    ASN   69   3.49 +/- 0.62  98.570% * 90.6583% (0.20   3.39  61.20) =  99.985%  kept
          HN    GLN   17 - HA    ASN   69   7.92 +/- 1.14   1.408% *  0.9217% (0.34   0.02   0.02) =   0.015%
          HN    ALA   61 - HA    ASN   69  15.89 +/- 0.62   0.015% *  2.1637% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  22.85 +/- 1.80   0.002% *  2.6783% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  20.31 +/- 0.94   0.004% *  1.0142% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  27.09 +/- 1.19   0.001% *  1.9622% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  25.34 +/- 0.72   0.001% *  0.6016% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  15.61 +/- 0.81 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.50 A violated in 20 structures by 12.11 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.335, support = 0.0198, residual support = 0.0198:
          QG2   THR   77 - HA    SER   48   6.26 +/- 1.47  62.873% *  1.9923% (0.23  1.00   0.02   0.02) =  36.015%  kept
        T QB    ALA   88 - HB2   SER   82  10.66 +/- 0.39   2.988% * 37.0886% (0.42 10.00   0.02   0.02) =  31.859%  kept
          HG2   LYS+  99 - HA    VAL   70   9.20 +/- 1.71  10.297% *  3.6274% (0.41  1.00   0.02   0.02) =  10.738%  kept
          QG2   THR   77 - HB2   SER   82   9.48 +/- 1.03   7.307% *  4.2379% (0.48  1.00   0.02   0.02) =   8.903%  kept
        T QB    ALA   88 - HA    SER   48  14.72 +/- 2.48   0.963% * 17.4364% (0.20 10.00   0.02   0.02) =   4.828%  kept
          HG2   LYS+  38 - HA    VAL   70  11.19 +/- 1.32   2.875% *  4.6421% (0.53  1.00   0.02   0.02) =   3.837%  kept
          QG2   THR   23 - HB2   SER   82   9.25 +/- 0.87   9.705% *  0.9519% (0.11  1.00   0.02   0.02) =   2.656%  kept
          QG2   THR   77 - HA    VAL   70  17.58 +/- 0.74   0.149% *  8.7452% (0.99  1.00   0.02   0.02) =   0.375%
          HB2   LEU   31 - HA    VAL   70  13.98 +/- 0.96   0.623% *  1.3614% (0.15  1.00   0.02   0.02) =   0.244%
          QG2   THR   23 - HA    SER   48  12.41 +/- 1.51   1.487% *  0.4475% (0.05  1.00   0.02   0.02) =   0.191%
          QB    ALA   88 - HA    VAL   70  20.11 +/- 1.55   0.081% *  7.6536% (0.87  1.00   0.02   0.02) =   0.178%
          HB2   LEU   31 - HB2   SER   82  15.74 +/- 2.37   0.358% *  0.6597% (0.07  1.00   0.02   0.02) =   0.068%
          QG2   THR   23 - HA    VAL   70  18.47 +/- 0.51   0.107% *  1.9644% (0.22  1.00   0.02   0.02) =   0.060%
          HG2   LYS+ 111 - HA    VAL   70  24.16 +/- 2.43   0.024% *  1.7461% (0.20  1.00   0.02   0.02) =   0.012%
          HG2   LYS+ 111 - HA    SER   48  19.51 +/- 2.08   0.078% *  0.3978% (0.05  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HB2   SER   82  26.21 +/- 2.09   0.017% *  1.7578% (0.20  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HB2   SER   82  27.19 +/- 2.23   0.012% *  2.2495% (0.25  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB2   SER   82  25.90 +/- 2.65   0.015% *  0.8462% (0.10  1.00   0.02   0.02) =   0.004%
          HB2   LEU   31 - HA    SER   48  22.72 +/- 1.26   0.030% *  0.3102% (0.04  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HA    SER   48  28.74 +/- 0.80   0.007% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  31.54 +/- 0.95   0.004% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 18 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.05, residual support = 31.5:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.02  99.993% * 99.7573% (0.87  10.0   5.05  31.46) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  11.82 +/- 1.21   0.005% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  19.05 +/- 0.72   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.66 +/- 1.21   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.56 +/- 2.34   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.96 +/- 1.27   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  17.79 +/- 1.78   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  20.62 +/- 1.70   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.27 +/- 1.14   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.38 +/- 1.65   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.70 +/- 1.76   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.26 +/- 1.47   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 3.3, residual support = 40.9:
        T HZ    PHE   72 - HB    VAL   70   3.98 +/- 0.58  49.980% * 95.0245% (1.00 10.00   3.30  40.88) =  95.589%  kept
          QD    PHE   72 - HB    VAL   70   4.06 +/- 0.66  45.879% *  4.7738% (0.31  1.00   3.25  40.88) =   4.408%  kept
        T HZ    PHE   72 - QG    GLN   17   9.30 +/- 0.81   0.578% *  0.1765% (0.19 10.00   0.02   0.02) =   0.002%
          QD    PHE   72 - QG    GLN   17   6.54 +/- 0.61   3.507% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.76 +/- 0.71   0.031% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.53 +/- 0.88   0.025% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 40.9:
          QE    PHE   72 - HB    VAL   70   2.38 +/- 0.67  99.513% * 98.8491% (0.73   4.03  40.88) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   7.60 +/- 0.73   0.433% *  0.0912% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  10.91 +/- 1.45   0.031% *  0.2538% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  12.34 +/- 0.71   0.019% *  0.0472% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.40 +/- 1.28   0.003% *  0.1188% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.64 +/- 0.94   0.001% *  0.6398% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 82.1:
      O   HN    VAL   70 - HB    VAL   70   2.64 +/- 0.32  99.886% * 99.9336% (0.76  10.0   4.63  82.09) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   8.96 +/- 1.34   0.112% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.77 +/- 0.68   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.14 +/- 1.15   0.001% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.12, residual support = 82.1:
          HN    VAL   70 - QG1   VAL   70   2.51 +/- 0.50  99.993% * 98.3738% (0.28   5.12  82.09) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.39 +/- 1.32   0.006% *  0.5190% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.75 +/- 0.84   0.001% *  1.1072% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.26, residual support = 1.2:
          HN    VAL   42 - QG2   VAL   70   3.44 +/- 0.53  94.134% * 57.3467% (0.35   1.27   1.23) =  97.054%  kept
          HN    LEU   73 - QG2   VAL   70   5.99 +/- 0.53   3.903% * 41.3043% (0.35   0.91   0.02) =   2.898%  kept
          HN    ILE   19 - QG2   VAL   70   7.44 +/- 0.64   1.963% *  1.3490% (0.52   0.02   0.02) =   0.048%
    Distance limit 3.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.403, support = 5.39, residual support = 36.7:
        T HG    LEU   40 - QG2   VAL   70   3.02 +/- 0.85  33.786% * 69.5263% (0.54 10.00   6.40  36.69) =  58.084%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.57 +/- 0.98  59.164% * 28.6467% (0.22 10.00   3.99  36.69) =  41.909%  kept
          HB3   LEU   67 - QG2   VAL   70   4.25 +/- 1.15   5.485% *  0.0194% (0.15  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - QG2   VAL   70   5.00 +/- 1.21   1.336% *  0.0691% (0.53  1.00   0.02   0.02) =   0.002%
        T HG    LEU   73 - QG2   VAL   70   6.69 +/- 0.85   0.152% *  0.4508% (0.35 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - QG2   VAL   70  13.55 +/- 1.85   0.004% *  0.6953% (0.54 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  14.14 +/- 2.52   0.003% *  0.4508% (0.35 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.56 +/- 1.28   0.028% *  0.0312% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  11.54 +/- 2.82   0.017% *  0.0451% (0.35  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.45 +/- 1.88   0.012% *  0.0533% (0.41  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.77 +/- 0.70   0.013% *  0.0122% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.413, support = 2.37, residual support = 40.9:
        T QD    PHE   72 - QG2   VAL   70   2.79 +/- 0.57  77.309% * 53.1587% (0.43 10.00   1.84  40.88) =  79.500%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.64 +/- 0.52  22.645% * 46.7974% (0.35 10.00   4.44  40.88) =  20.500%  kept
          QE    PHE   45 - QG2   VAL   70  10.09 +/- 0.55   0.046% *  0.0439% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.22, residual support = 40.9:
          QE    PHE   72 - QG2   VAL   70   2.16 +/- 0.53  99.994% * 99.6689% (0.54   5.22  40.88) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.26 +/- 0.68   0.005% *  0.1302% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  16.48 +/- 0.58   0.001% *  0.2009% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.34, residual support = 31.5:
          HN    LEU   71 - QG2   VAL   70   2.56 +/- 0.30  99.968% * 99.3747% (0.51   6.34  31.46) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  12.82 +/- 2.26   0.010% *  0.0922% (0.15   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  14.52 +/- 2.13   0.005% *  0.1745% (0.28   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  11.59 +/- 1.12   0.015% *  0.0449% (0.07   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  16.09 +/- 1.33   0.002% *  0.3137% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.661, support = 2.82, residual support = 40.9:
        T HZ    PHE   72 - QG1   VAL   70   3.91 +/- 1.04  63.523% * 85.0933% (0.65 10.00   2.82  40.88) =  90.931%  kept
          QD    PHE   72 - QG1   VAL   70   4.41 +/- 0.92  36.359% * 14.8269% (0.80  1.00   2.82  40.88) =   9.069%  kept
          QE    PHE   45 - QG1   VAL   70  11.90 +/- 0.81   0.119% *  0.0798% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 1 structures by 0.28 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.749, residual support = 3.02:
          HA    VAL   41 - HB2   LEU   71   4.34 +/- 1.35  94.142% * 95.8609% (0.92   0.75   3.02) =  99.830%  kept
          HA    HIS  122 - HB2   LEU   71  15.65 +/- 6.38   5.679% *  2.6725% (0.97   0.02   0.02) =   0.168%
          HA    PHE   45 - HB2   LEU   71  14.84 +/- 0.92   0.160% *  1.0393% (0.38   0.02   0.02) =   0.002%
          HA    MET   92 - HB2   LEU   71  21.78 +/- 1.51   0.019% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 6 structures by 0.91 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 140.2:
      O   HN    LEU   71 - HB2   LEU   71   2.53 +/- 0.39  99.966% * 99.8011% (0.95  10.0   6.35 140.17) = 100.000%  kept
          HN    THR  118 - HB2   LEU   71  19.01 +/- 3.56   0.014% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  20.78 +/- 3.24   0.005% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  15.99 +/- 1.99   0.014% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.57 +/- 2.34   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.27, residual support = 140.2:
      O   HN    LEU   71 - HB3   LEU   71   3.32 +/- 0.53  99.914% * 99.8011% (0.95  10.0   6.27 140.17) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.59 +/- 2.24   0.050% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.22 +/- 3.45   0.022% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.81 +/- 3.27   0.010% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  22.63 +/- 2.51   0.003% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.94, residual support = 140.2:
      O   HB2   LEU   71 - HG    LEU   71   2.50 +/- 0.07  98.667% * 99.3720% (0.97  10.0   4.94 140.17) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.81 +/- 1.47   0.214% *  0.0501% (0.49   1.0   0.02   3.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   6.68 +/- 1.19   0.459% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.42 +/- 0.78   0.468% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.12 +/- 1.63   0.036% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  10.18 +/- 1.38   0.031% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  14.29 +/- 1.96   0.010% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.40 +/- 1.12   0.010% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.63 +/- 5.79   0.029% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19   9.88 +/- 1.63   0.046% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.31 +/- 1.34   0.015% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.91 +/- 1.46   0.003% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.88 +/- 1.06   0.006% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  22.04 +/- 2.48   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  17.51 +/- 1.79   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  19.80 +/- 2.06   0.001% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  16.98 +/- 1.67   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  26.30 +/- 1.80   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  20.68 +/- 3.82   0.001% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.09 +/- 1.52   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 140.2:
          HN    LEU   71 - QD2   LEU   71   3.72 +/- 0.50  99.872% * 99.7038% (0.87   6.76 140.17) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  12.58 +/- 1.73   0.112% *  0.0848% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  19.83 +/- 1.78   0.005% *  0.1655% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.15 +/- 2.33   0.010% *  0.0460% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.28, residual support = 19.6:
          HN    PHE   72 - QD2   LEU   71   3.30 +/- 0.23  99.748% * 99.5662% (0.73   5.28  19.56) =  99.999%  kept
          HN    LEU  104 - QD2   LEU   71  12.97 +/- 1.93   0.252% *  0.4338% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.02, residual support = 39.3:
      O   HN    LEU   73 - HA    PHE   72   2.26 +/- 0.05  69.293% * 92.3216% (0.61  10.0   5.14  40.49) =  96.599%  kept
          HN    VAL   42 - HA    PHE   72   2.87 +/- 0.86  29.771% *  7.5659% (0.61   1.0   1.64   4.99) =   3.401%  kept
          HN    ILE   19 - HA    PHE   72   4.68 +/- 0.28   0.934% *  0.0202% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.29 +/- 1.22   0.002% *  0.0923% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.13, residual support = 90.3:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  99.976% * 99.9786% (0.71  10.0   5.13  90.31) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.85 +/- 0.69   0.024% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.378, support = 2.62, residual support = 40.2:
          HG    LEU   73 - HA    PHE   72   4.23 +/- 0.90  66.012% * 70.5353% (0.37   2.66  40.49) =  97.977%  kept
          HB3   LEU   67 - HA    PHE   72   7.05 +/- 0.74   2.941% * 22.2320% (0.66   0.47  34.85) =   1.376%  kept
          HG12  ILE   19 - HA    PHE   72   5.43 +/- 1.10  27.784% *  1.0504% (0.74   0.02   0.02) =   0.614%  kept
          QB    ALA   61 - HA    PHE   72   9.50 +/- 1.16   0.511% *  1.0504% (0.74   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HA    PHE   72   8.09 +/- 0.56   1.087% *  0.4475% (0.31   0.02   0.02) =   0.010%
          QB    LEU   98 - HA    PHE   72   7.97 +/- 1.07   1.308% *  0.2154% (0.15   0.02   0.02) =   0.006%
          QG    LYS+  66 - HA    PHE   72  11.18 +/- 0.84   0.155% *  0.7476% (0.52   0.02   0.21) =   0.002%
          HG    LEU   80 - HA    PHE   72  14.08 +/- 1.38   0.043% *  1.0860% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  15.05 +/- 2.20   0.038% *  1.0788% (0.76   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    PHE   72  15.75 +/- 4.09   0.056% *  0.4880% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  14.37 +/- 1.04   0.039% *  0.6601% (0.46   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    PHE   72  15.94 +/- 1.84   0.025% *  0.4085% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.58, residual support = 40.5:
          QD2   LEU   73 - HB2   PHE   72   4.25 +/- 0.23  86.329% * 98.9693% (0.82   5.58  40.49) =  99.984%  kept
          QG1   VAL   43 - HB2   PHE   72   6.81 +/- 0.99   9.052% *  0.0716% (0.17   0.02   0.02) =   0.008%
          QG1   VAL   41 - HB2   PHE   72   7.31 +/- 0.72   3.950% *  0.1234% (0.28   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB2   PHE   72  11.22 +/- 1.50   0.417% *  0.3491% (0.81   0.02   0.02) =   0.002%
          HG    LEU   31 - HB2   PHE   72  11.93 +/- 1.14   0.211% *  0.3244% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  17.05 +/- 3.37   0.043% *  0.1622% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 1 structures by 0.65 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.59, residual support = 39.4:
        T QB    ALA   64 - HB2   PHE   72   3.43 +/- 0.56  99.967% * 99.9825% (0.84 10.00   2.59  39.44) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.15 +/- 0.92   0.033% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.679, support = 5.55, residual support = 36.2:
          QD2   LEU   73 - HB3   PHE   72   4.60 +/- 0.36  28.294% * 93.7200% (0.72   6.17  40.49) =  88.578%  kept
          QG2   VAL   18 - HB3   PHE   72   3.88 +/- 0.54  66.577% *  5.1174% (0.33   0.75   2.95) =  11.381%  kept
          QG1   VAL   43 - HB3   PHE   72   7.06 +/- 0.92   2.709% *  0.2205% (0.53   0.02   0.02) =   0.020%
          QG1   VAL   41 - HB3   PHE   72   7.38 +/- 0.86   1.867% *  0.2911% (0.69   0.02   0.02) =   0.018%
          QG2   THR   46 - HB3   PHE   72   9.96 +/- 1.21   0.332% *  0.1011% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  11.28 +/- 1.34   0.139% *  0.2059% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.11 +/- 0.95   0.082% *  0.3440% (0.82   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.79, residual support = 39.4:
        T QB    ALA   64 - HB3   PHE   72   3.24 +/- 0.69  99.885% * 99.9693% (0.63 10.00   2.79  39.44) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  12.54 +/- 2.31   0.115% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 2.95:
        T HA    VAL   18 - HB2   PHE   72   2.61 +/- 0.62  99.501% * 97.7542% (0.47 10.00   0.75   2.95) =  99.999%  kept
          HA    VAL   70 - HB2   PHE   72   7.83 +/- 0.60   0.200% *  0.4513% (0.82  1.00   0.02  40.88) =   0.001%
          HA1   GLY   16 - HB2   PHE   72   7.55 +/- 0.81   0.272% *  0.1280% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  15.70 +/- 2.26   0.006% *  0.4513% (0.82  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  13.32 +/- 1.03   0.009% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.68 +/- 0.79   0.006% *  0.3519% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.46 +/- 0.76   0.004% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.30 +/- 1.31   0.002% *  0.0806% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  20.94 +/- 1.15   0.001% *  0.2241% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 1.45, residual support = 2.95:
          HA    VAL   18 - HB3   PHE   72   2.53 +/- 0.50  99.246% * 61.0438% (0.15  1.00   1.45   2.95) =  99.957%  kept
          HA1   GLY   16 - HB3   PHE   72   7.19 +/- 1.25   0.527% *  3.4837% (0.63  1.00   0.02   0.02) =   0.030%
          HA    VAL   70 - HB3   PHE   72   7.59 +/- 0.66   0.205% *  2.9098% (0.53  1.00   0.02  40.88) =   0.010%
        T HA    LYS+  33 - HB3   PHE   72  14.66 +/- 0.69   0.004% * 14.8072% (0.27 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB3   PHE   72  13.17 +/- 1.07   0.009% *  4.7024% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  15.58 +/- 0.64   0.003% *  9.4941% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  15.71 +/- 2.54   0.005% *  2.9098% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  21.22 +/- 0.83   0.001% *  0.6493% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.73, residual support = 90.3:
      O T QD    PHE   72 - HB3   PHE   72   2.56 +/- 0.19  99.223% * 99.0530% (0.87  10.0 10.00   4.73  90.31) = 100.000%  kept
        T QE    PHE   45 - HB3   PHE   72  10.25 +/- 0.75   0.028% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.749% *  0.0306% (0.27   1.0  1.00   0.02  90.31) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.49, residual support = 90.3:
      O T QD    PHE   72 - HB2   PHE   72   2.46 +/- 0.17  99.379% * 99.8767% (0.83  10.0 10.00   4.49  90.31) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.592% *  0.0309% (0.26   1.0  1.00   0.02  90.31) =   0.000%
          QE    PHE   45 - HB2   PHE   72   9.92 +/- 1.12   0.029% *  0.0924% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.04, residual support = 90.3:
      O   HN    PHE   72 - HB2   PHE   72   3.09 +/- 0.57  99.977% * 99.9402% (0.79  10.0   5.04  90.31) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  13.77 +/- 0.89   0.023% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.845, support = 0.0197, residual support = 4.36:
          HB2   GLN   30 - HA    LEU   73   5.95 +/- 0.94  52.153% * 10.7462% (0.80   0.02   4.76) =  50.831%  kept
          HG3   GLN   30 - HA    LEU   73   6.63 +/- 1.60  33.889% * 13.3017% (0.99   0.02   4.76) =  40.884%  kept
          HB2   GLN   17 - HA    LEU   73   8.72 +/- 0.92   8.289% *  6.5324% (0.49   0.02   0.02) =   4.911%  kept
          QB    GLU-  15 - HA    LEU   73  10.06 +/- 0.83   3.091% *  6.5324% (0.49   0.02   0.02) =   1.831%  kept
          HB    ILE  119 - HA    LEU   73  17.58 +/- 2.66   0.337% * 10.7462% (0.80   0.02   0.02) =   0.328%
          HB3   PRO   68 - HA    LEU   73  15.39 +/- 1.34   0.298% * 11.6413% (0.87   0.02   0.02) =   0.314%
          HB    VAL  108 - HA    LEU   73  17.07 +/- 1.69   0.417% *  7.5980% (0.57   0.02   0.02) =   0.288%
          HB2   PRO   93 - HA    LEU   73  14.43 +/- 1.67   0.883% *  2.9879% (0.22   0.02   0.02) =   0.239%
          HB3   GLU- 100 - HA    LEU   73  17.17 +/- 1.21   0.148% * 11.6413% (0.87   0.02   0.02) =   0.156%
          HB3   GLU-  25 - HA    LEU   73  13.83 +/- 1.01   0.374% *  4.1422% (0.31   0.02   0.02) =   0.141%
          HB2   ARG+  54 - HA    LEU   73  19.06 +/- 1.91   0.076% *  6.5324% (0.49   0.02   0.02) =   0.045%
          HB2   LYS+ 111 - HA    LEU   73  21.29 +/- 1.62   0.046% *  7.5980% (0.57   0.02   0.02) =   0.032%
    Distance limit 3.66 A violated in 15 structures by 1.62 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.45, residual support = 39.1:
      O   HN    LYS+  74 - HA    LEU   73   2.28 +/- 0.08  99.986% * 99.6525% (0.69  10.0   5.45  39.10) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.17 +/- 0.67   0.014% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.27 +/- 2.12   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  22.95 +/- 1.98   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.70 +/- 1.18   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.78, support = 6.07, residual support = 163.2:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.02  38.915% * 97.6685% (0.80  10.0   6.21 168.62) =  96.721%  kept
          HN    ILE   19 - HA    LEU   73   2.72 +/- 0.65  60.291% *  2.1361% (0.18   1.0   2.00   4.00) =   3.277%  kept
          HN    VAL   42 - HA    LEU   73   6.17 +/- 0.59   0.793% *  0.0977% (0.80   1.0   0.02   1.12) =   0.002%
          HN    LYS+ 106 - HA    LEU   73  15.99 +/- 1.28   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.05, residual support = 168.6:
      O   HN    LEU   73 - HB2   LEU   73   3.56 +/- 0.33  96.266% * 99.6355% (0.38  10.0   6.05 168.62) =  99.996%  kept
          HN    VAL   42 - HB2   LEU   73   6.37 +/- 0.63   3.715% *  0.0996% (0.38   1.0   0.02   1.12) =   0.004%
          HN    LYS+ 106 - HB2   LEU   73  15.61 +/- 1.52   0.019% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.798, support = 1.99, residual support = 9.15:
          HA    VAL   43 - HB2   LEU   73   4.21 +/- 0.79  97.695% * 87.9390% (0.80  1.00   2.00   9.17) =  99.719%  kept
        T HA    HIS   22 - HB2   LEU   73   8.78 +/- 0.96   2.190% * 10.9843% (1.00 10.00   0.02   0.02) =   0.279%
          HA    ASN   69 - HB2   LEU   73  14.35 +/- 0.50   0.115% *  1.0767% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.3, residual support = 39.1:
          HN    LYS+  74 - HB3   LEU   73   3.65 +/- 0.44  99.946% * 97.4339% (0.25   5.30  39.10) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.41 +/- 0.43   0.049% *  0.6058% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.39 +/- 2.31   0.004% *  1.1261% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  24.46 +/- 2.53   0.001% *  0.8342% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.748, support = 5.45, residual support = 160.2:
          HN    LEU   73 - HG    LEU   73   3.19 +/- 0.67  43.548% * 69.7318% (0.80   5.64 168.62) =  88.141%  kept
          HN    ILE   19 - HG12  ILE   19   3.17 +/- 0.60  40.318% *  5.5775% (0.06   6.31 175.90) =   6.527%  kept
          HN    VAL   42 - HG    LEU   73   4.59 +/- 1.24   9.041% * 18.3998% (0.80   1.49   1.12) =   4.828%  kept
          HN    VAL   42 - HG    LEU   40   5.24 +/- 1.11   3.086% *  5.5256% (0.15   2.40   1.42) =   0.495%
          HN    LEU   73 - HG12  ILE   19   5.49 +/- 0.87   1.651% *  0.0808% (0.26   0.02   4.00) =   0.004%
          HN    VAL   42 - HG12  ILE   19   7.01 +/- 1.43   1.237% *  0.0808% (0.26   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   73   5.70 +/- 0.55   0.941% *  0.0541% (0.18   0.02   4.00) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.98 +/- 1.27   0.072% *  0.0461% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.20 +/- 1.64   0.035% *  0.0461% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  14.85 +/- 1.86   0.004% *  0.2475% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.89 +/- 1.42   0.013% *  0.0301% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.43 +/- 2.08   0.021% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.76 +/- 1.44   0.013% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.55 +/- 1.20   0.003% *  0.0301% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  18.36 +/- 1.64   0.001% *  0.0808% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.72 +/- 1.14   0.008% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.77 +/- 3.08   0.004% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.32 +/- 3.05   0.003% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.88 +/- 1.38   0.000% *  0.0301% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.48 +/- 2.42   0.001% *  0.0015% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.101, support = 1.42, residual support = 1.08:
          HN    LEU   71 - HG    LEU   40   5.91 +/- 1.18  45.764% * 48.7853% (0.05   1.74   1.36) =  78.619%  kept
          HN    LEU   71 - HG    LEU   73   7.04 +/- 0.65  15.879% * 34.8034% (0.28   0.23   0.02) =  19.460%  kept
          HN    LEU   71 - HG12  ILE   19   7.06 +/- 1.16  21.527% *  0.9798% (0.09   0.02   0.02) =   0.743%  kept
          HN    THR   26 - HG    LEU   73  10.95 +/- 1.97   1.728% *  9.0129% (0.84   0.02   0.02) =   0.549%  kept
          HN    THR   26 - HG    LEU   80   7.18 +/- 0.66  14.179% *  1.0967% (0.10   0.02   0.02) =   0.548%  kept
          HN    THR   26 - HG12  ILE   19  11.82 +/- 0.77   0.759% *  2.9435% (0.27   0.02   0.02) =   0.079%
          HN    THR   26 - HG    LEU   40  19.36 +/- 1.00   0.032% *  1.6803% (0.16   0.02   0.02) =   0.002%
          HN    LEU   71 - HG    LEU   80  18.02 +/- 1.24   0.054% *  0.3651% (0.03   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU  115  18.99 +/- 3.11   0.072% *  0.0832% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  26.57 +/- 2.69   0.006% *  0.2499% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 13 structures by 1.11 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 = 7.75, residual support = 167.3:
          HN    LEU   73 - QD2   LEU   73   2.62 +/- 0.61  86.913% * 92.9598% (0.38   7.80 168.62) =  99.204%  kept
          HN    VAL   42 - QD2   LEU   73   4.05 +/- 0.77  10.666% *  6.0283% (0.38   0.51   1.12) =   0.790%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   8.95 +/- 4.36   2.404% *  0.2160% (0.34   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QD2   LEU   73  13.03 +/- 1.61   0.007% *  0.6334% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  15.35 +/- 4.17   0.007% *  0.0812% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  17.35 +/- 3.61   0.003% *  0.0812% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.63, residual support = 39.1:
          HN    LYS+  74 - QD2   LEU   73   3.89 +/- 0.26  99.825% * 96.6661% (0.25   5.63  39.10) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.76 +/- 0.98   0.095% *  0.5663% (0.41   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QD2   LEU   73  18.45 +/- 2.75   0.036% *  1.0527% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.69 +/- 0.88   0.026% *  0.3590% (0.26   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  18.64 +/- 1.99   0.011% *  0.7798% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.89 +/- 3.10   0.007% *  0.1171% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.18 +/- 2.13   0.001% *  0.1931% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  34.91 +/- 3.52   0.000% *  0.2659% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.75, residual support = 187.3:
      O   HN    LYS+  74 - HB2   LYS+  74   2.88 +/- 0.34  99.910% * 99.3064% (0.20  10.0   5.75 187.34) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.64 +/- 0.99   0.088% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.36 +/- 2.03   0.002% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  25.29 +/- 1.79   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.43, residual support = 32.0:
          HN    VAL   75 - HB3   LYS+  74   4.08 +/- 0.21  99.542% * 98.5375% (0.41   4.43  32.05) =  99.996%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.07 +/- 0.44   0.447% *  0.9389% (0.87   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB3   LYS+  74  20.31 +/- 1.82   0.008% *  0.3341% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  25.27 +/- 1.53   0.002% *  0.1896% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.46 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   2.94 +/- 0.72  99.839% * 99.5089% (0.84   5.70  32.05) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.99 +/- 1.26   0.148% *  0.4100% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.00 +/- 2.21   0.010% *  0.0373% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.17 +/- 2.26   0.003% *  0.0438% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.50 +/- 0.18  99.981% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.41 +/- 2.01   0.019% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.12 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.7:
      O   HN    ASP-  78 - HB3   ASP-  78   2.50 +/- 0.56  99.965% * 99.9053% (0.95  10.0   3.95  39.67) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.01 +/- 0.67   0.035% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.2, residual support = 39.7:
      O   HN    ASP-  78 - HB2   ASP-  78   2.70 +/- 0.31  99.953% * 99.9053% (0.95  10.0   5.20  39.67) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.88 +/- 0.50   0.047% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 56.3:
      O T HB3   GLU-  79 - HA    GLU-  79   2.82 +/- 0.20  99.963% * 99.1581% (1.00  10.0 10.00   4.35  56.33) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.82 +/- 2.92   0.030% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  16.40 +/- 0.89   0.003% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  15.50 +/- 0.84   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.31 +/- 0.79   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.13 +/- 2.18   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 56.3:
      O   QG    GLU-  79 - HB3   GLU-  79   2.33 +/- 0.14  99.972% * 99.5936% (0.98  10.0   3.65  56.33) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  14.19 +/- 2.67   0.024% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  17.23 +/- 1.75   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.12 +/- 1.36   0.002% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  21.16 +/- 0.91   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.86 +/- 0.90   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  21.58 +/- 2.44   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.63 +/- 0.97   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.05 +/- 1.76   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.95 +/- 2.34   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  23.74 +/- 1.56   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  27.40 +/- 1.14   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.891, support = 3.14, residual support = 10.4:
          HB2   ASP-  76 - HB3   GLU-  79   3.71 +/- 0.83  69.464% * 32.5648% (1.00  1.00   1.80   2.32) =  54.223%  kept
          HB2   ASP-  78 - HB3   GLU-  79   4.67 +/- 0.92  29.098% * 65.6245% (0.76  1.00   4.74  19.94) =  45.772%  kept
          HB2   ASP-  76 - HB2   GLN   90  13.90 +/- 3.02   0.596% *  0.1344% (0.37  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HB2   GLN   90  13.27 +/- 2.78   0.773% *  0.1030% (0.28  1.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HB3   GLU-  79  12.71 +/- 0.97   0.055% *  0.6350% (0.18 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB3   GLU-  79  17.47 +/- 1.65   0.009% *  0.0904% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  21.24 +/- 1.52   0.002% *  0.2359% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.97 +/- 1.22   0.000% *  0.3499% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  25.74 +/- 1.20   0.001% *  0.0718% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  30.53 +/- 2.31   0.000% *  0.1300% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  24.85 +/- 2.10   0.001% *  0.0336% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  25.61 +/- 2.60   0.001% *  0.0267% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.35, residual support = 56.3:
      O T HA    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.20  97.207% * 98.8585% (0.80  10.0 10.00   4.35  56.33) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   8.25 +/- 2.75   1.833% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.82 +/- 2.92   0.029% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   7.19 +/- 1.09   0.680% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.10 +/- 0.38   0.202% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.20 +/- 0.60   0.010% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.49 +/- 0.96   0.011% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.84 +/- 2.71   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.31 +/- 1.95   0.006% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.91 +/- 1.66   0.002% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.65 +/- 3.19   0.005% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.47 +/- 1.21   0.011% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.47 +/- 1.40   0.001% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.47 +/- 1.10   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.89 +/- 1.73   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  22.84 +/- 2.40   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.07 +/- 1.34   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.26 +/- 1.79   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  31.65 +/- 2.44   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  40.20 +/- 3.86   0.000% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 89.9:
      O T HA    GLN   90 - HB2   GLN   90   2.41 +/- 0.20  98.154% * 96.0605% (0.27  10.0 10.00   3.96  89.92) =  99.998%  kept
          HA    ALA   91 - HB2   GLN   90   5.13 +/- 0.47   1.774% *  0.0644% (0.18   1.0  1.00   0.02  32.51) =   0.001%
        T HA    GLN   90 - HB3   GLU-  79  13.05 +/- 2.30   0.011% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79   9.85 +/- 1.50   0.049% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  15.39 +/- 2.14   0.004% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.40 +/- 2.44   0.005% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.17 +/- 1.80   0.002% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  21.11 +/- 3.17   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.27 +/- 0.94   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.04 +/- 2.44   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.60 +/- 1.53   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  18.49 +/- 1.80   0.001% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.886, support = 3.09, residual support = 10.8:
          HB2   ASP-  76 - HB2   GLU-  79   3.39 +/- 0.91  69.880% * 31.7360% (1.00   1.67   2.32) =  52.140%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.31 +/- 0.78  30.087% * 67.6586% (0.76   4.64  19.94) =  47.860%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.15 +/- 1.05   0.028% *  0.0668% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.66 +/- 1.30   0.004% *  0.0951% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  27.07 +/- 1.34   0.000% *  0.3681% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  25.65 +/- 1.10   0.000% *  0.0755% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.61, residual support = 50.2:
          HN    LEU   80 - HB2   GLU-  79   2.97 +/- 0.69  99.915% * 98.5776% (0.61   5.61  50.22) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.80 +/- 0.95   0.071% *  0.2820% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  16.89 +/- 1.19   0.005% *  0.5025% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  16.23 +/- 1.95   0.008% *  0.2174% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.93 +/- 1.25   0.002% *  0.4206% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.76, residual support = 50.2:
          HN    LEU   80 - HB3   GLU-  79   2.68 +/- 0.70  99.453% * 97.9846% (0.61   5.76  50.22) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.40 +/- 1.46   0.259% *  0.1014% (0.18   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  12.99 +/- 2.33   0.207% *  0.1264% (0.23   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.71 +/- 0.65   0.055% *  0.2730% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  16.49 +/- 2.18   0.008% *  0.2105% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.52 +/- 1.17   0.003% *  0.4865% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  13.68 +/- 1.83   0.011% *  0.0782% (0.14   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  18.62 +/- 1.19   0.001% *  0.4073% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  23.71 +/- 1.22   0.001% *  0.1808% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  24.96 +/- 1.37   0.000% *  0.1513% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 89.9:
      O   HN    GLN   90 - HB2   GLN   90   3.82 +/- 0.25  98.438% * 98.6230% (0.23  10.0   5.58  89.92) =  99.998%  kept
          HE1   HIS   22 - HB3   GLU-  79   9.37 +/- 2.81   1.073% *  0.0675% (0.15   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB2   GLN   90  11.76 +/- 3.06   0.306% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB3   GLU-  79  13.49 +/- 2.13   0.156% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.74 +/- 2.00   0.007% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.49 +/- 1.75   0.003% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  20.77 +/- 2.16   0.005% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  19.25 +/- 3.01   0.013% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.19, residual support = 50.2:
          HN    LEU   80 - QG    GLU-  79   3.31 +/- 0.70  99.754% * 98.4652% (0.61   5.19  50.22) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.07 +/- 0.74   0.200% *  0.3042% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  14.61 +/- 0.73   0.023% *  0.5421% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  16.75 +/- 0.76   0.010% *  0.4538% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  16.39 +/- 1.67   0.013% *  0.2346% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.55, residual support = 50.2:
      O   HN    LEU   80 - HA    GLU-  79   3.39 +/- 0.37  99.837% * 99.2120% (0.28  10.0   5.55  50.22) = 100.000%  kept
          HN    SER   85 - HA    GLU-  79  10.11 +/- 0.53   0.155% *  0.2980% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    GLU-  79  18.09 +/- 0.91   0.005% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  20.41 +/- 0.99   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.619, support = 4.3, residual support = 82.1:
      O   HB2   LEU   80 - QD2   LEU   80   2.51 +/- 0.38  30.579% * 71.2691% (0.87  10.0  1.00   3.91  82.10) =  52.878%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  69.295% * 28.0259% (0.34  10.0  1.00   4.73  82.10) =  47.121%  kept
        T HB3   LEU   73 - QD2   LEU   80   7.13 +/- 0.81   0.057% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   7.16 +/- 0.64   0.051% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  10.78 +/- 0.91   0.005% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  10.27 +/- 0.60   0.005% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  11.89 +/- 1.22   0.003% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.09 +/- 0.72   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.35 +/- 1.93   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  13.25 +/- 1.00   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.72 +/- 1.51   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.72 +/- 2.46   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  17.28 +/- 1.42   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  17.95 +/- 1.57   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.45 +/- 1.91   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.928, support = 4.77, residual support = 41.9:
          HA    THR   23 - QD2   LEU   80   3.08 +/- 0.34  57.805% * 34.6805% (0.99   3.81   8.52) =  52.190%  kept
          HA    LEU   80 - QD2   LEU   80   3.44 +/- 0.69  36.518% * 47.6785% (0.87   5.99  82.10) =  45.327%  kept
          HB    THR   23 - QD2   LEU   80   4.57 +/- 0.26   5.477% * 17.4119% (0.73   2.61   8.52) =   2.483%  kept
          HA    ASP-  78 - QD2   LEU   80   7.98 +/- 0.47   0.197% *  0.1469% (0.80   0.02   3.89) =   0.001%
          HA    ASP- 105 - QD2   LEU   80  16.84 +/- 0.86   0.003% *  0.0822% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.469, support = 3.15, residual support = 11.4:
          HN    THR   23 - QD2   LEU   80   3.26 +/- 0.46  84.146% * 23.4547% (0.41   3.03   8.52) =  76.843%  kept
          HE3   TRP   27 - QD2   LEU   80   5.05 +/- 0.54   7.328% * 42.5936% (0.92   2.45  11.95) =  12.153%  kept
          HN    LYS+  81 - QD2   LEU   80   5.26 +/- 0.62   8.460% * 33.4056% (0.38   4.73  30.93) =  11.004%  kept
          QE    PHE   95 - QD2   LEU   80  11.56 +/- 0.87   0.056% *  0.1687% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.38 +/- 1.35   0.005% *  0.3265% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  17.60 +/- 0.76   0.004% *  0.0509% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.11, residual support = 11.0:
          HN    VAL   24 - QD2   LEU   80   2.87 +/- 0.30  99.908% * 99.5383% (0.31   3.11  10.96) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80   9.73 +/- 0.72   0.092% *  0.4617% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.256, support = 3.28, residual support = 20.4:
          HN    LYS+  81 - QD1   LEU   80   4.27 +/- 0.33  27.076% * 63.4742% (0.24   4.85  30.93) =  52.910%  kept
          HN    THR   23 - QD1   LEU   80   3.56 +/- 0.69  68.304% * 22.0579% (0.27   1.54   8.52) =  46.384%  kept
          HE3   TRP   27 - QD1   LEU   80   6.72 +/- 0.91   1.803% * 12.1925% (0.60   0.38  11.95) =   0.677%  kept
          HE3   TRP   27 - QD2   LEU   98   6.65 +/- 1.24   2.297% *  0.3690% (0.34   0.02   0.02) =   0.026%
          QE    PHE   95 - QD2   LEU   98   9.73 +/- 1.35   0.343% *  0.1792% (0.17   0.02   0.02) =   0.002%
          QE    PHE   95 - QD1   LEU   80  11.70 +/- 1.62   0.069% *  0.3127% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  12.35 +/- 1.29   0.043% *  0.1643% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  16.87 +/- 1.57   0.007% *  0.6049% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.38 +/- 1.48   0.017% *  0.1500% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.41 +/- 1.48   0.006% *  0.3467% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.04 +/- 1.00   0.033% *  0.0541% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.22 +/- 1.36   0.004% *  0.0944% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 101.9:
          HN    LYS+  81 - QG    LYS+  81   2.18 +/- 0.43  99.940% * 98.5695% (0.87   4.97 101.90) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.14 +/- 0.48   0.036% *  0.0981% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.26 +/- 0.65   0.006% *  0.2050% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.77 +/- 1.01   0.004% *  0.2405% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.63 +/- 1.63   0.006% *  0.0529% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.00 +/- 1.97   0.001% *  0.1716% (0.38   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  16.34 +/- 1.47   0.001% *  0.1152% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.86 +/- 1.58   0.002% *  0.0451% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.33 +/- 0.83   0.000% *  0.1899% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.54 +/- 1.52   0.001% *  0.0378% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.67 +/- 1.99   0.000% *  0.0873% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.71 +/- 2.31   0.001% *  0.0136% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.88 +/- 1.33   0.000% *  0.0296% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.69 +/- 1.02   0.000% *  0.0619% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.60 +/- 1.99   0.000% *  0.0821% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 0.717, residual support = 1.43:
          HN    GLU-  79 - QG    LYS+  81   3.83 +/- 0.25  99.457% * 93.6412% (0.65   0.72   1.43) =  99.997%  kept
          HN    THR   94 - QG    LYS+  81  12.42 +/- 0.92   0.105% *  1.0073% (0.25   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  10.40 +/- 1.14   0.309% *  0.2216% (0.05   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+  33  12.79 +/- 1.35   0.084% *  0.7951% (0.20   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.24 +/- 1.94   0.025% *  0.3654% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  19.80 +/- 0.83   0.005% *  1.2512% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.46 +/- 1.90   0.008% *  0.5750% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.95 +/- 0.64   0.002% *  1.6608% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.70 +/- 0.97   0.004% *  0.4823% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.18, residual support = 101.9:
      O   HN    LYS+  81 - QB    LYS+  81   2.51 +/- 0.22  98.971% * 99.1682% (0.38  10.0   5.18 101.90) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.85 +/- 0.65   0.929% *  0.0263% (0.10   1.0   0.02   0.41) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.42 +/- 0.97   0.044% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.87 +/- 0.77   0.006% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52  10.53 +/- 2.22   0.044% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.16 +/- 1.17   0.002% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  18.90 +/- 1.82   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.01 +/- 2.28   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.92 +/- 1.77   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  24.70 +/- 0.93   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.81 +/- 2.31   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  22.39 +/- 0.99   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 101.9:
      O   HN    LYS+  81 - HA    LYS+  81   2.81 +/- 0.05  99.981% * 99.8291% (0.87  10.0   5.27 101.90) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  12.52 +/- 0.76   0.014% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.79 +/- 1.10   0.004% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.65 +/- 2.20   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.51 +/- 1.15   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.72, support = 2.79, residual support = 13.5:
          HA    ASP-  78 - QG    LYS+  81   3.85 +/- 1.10  66.144% * 34.5302% (0.98   1.21   0.67) =  57.243%  kept
          HA    LEU   80 - QG    LYS+  81   4.37 +/- 0.45  30.938% * 54.5582% (0.38   4.97  30.93) =  42.305%  kept
          HA    THR   23 - QG    LYS+  81   7.73 +/- 0.95   1.859% *  9.6447% (0.76   0.43   0.02) =   0.449%
          HB    THR   23 - QG    LYS+  81   9.77 +/- 1.21   0.601% *  0.1458% (0.25   0.02   0.02) =   0.002%
          HA    PHE   45 - QG    LYS+  81   9.50 +/- 0.77   0.335% *  0.0902% (0.15   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+  33  15.12 +/- 0.57   0.017% *  0.2139% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  13.97 +/- 1.03   0.030% *  0.0698% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  12.78 +/- 1.38   0.050% *  0.0198% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  17.96 +/- 0.94   0.006% *  0.1050% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  20.42 +/- 2.43   0.004% *  0.1261% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.03 +/- 0.62   0.001% *  0.2744% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.33 +/- 1.04   0.007% *  0.0432% (0.07   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  18.84 +/- 2.09   0.005% *  0.0483% (0.08   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.35 +/- 1.75   0.002% *  0.0983% (0.17   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  22.73 +/- 1.73   0.001% *  0.0321% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.43, residual support = 33.4:
      O   HN    SER   82 - HB3   SER   82   3.03 +/- 0.19 100.000% * 99.5254% (0.41  10.0   3.43  33.45) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  26.15 +/- 1.12   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  28.39 +/- 1.43   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 3.35, residual support = 15.5:
      O   HN    TRP   49 - HA    SER   48   3.55 +/- 0.06  35.195% * 85.6247% (0.40  10.0   3.26  14.85) =  83.873%  kept
          HN    VAL   83 - HB2   SER   82   3.34 +/- 0.19  51.142% * 10.4380% (0.24   1.0   4.10  20.28) =  14.857%  kept
          HN    CYS   50 - HA    SER   48   4.41 +/- 0.76  13.572% *  3.3608% (0.36   1.0   0.87   0.02) =   1.269%  kept
          HE22  GLN   30 - HA    VAL   70  11.26 +/- 1.46   0.048% *  0.0242% (0.11   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.04 +/- 2.23   0.029% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  16.78 +/- 1.47   0.004% *  0.1559% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.01 +/- 1.46   0.002% *  0.1402% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  16.30 +/- 1.76   0.005% *  0.0696% (0.32   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  18.38 +/- 1.78   0.002% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.36 +/- 0.98   0.000% *  0.0487% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.42 +/- 0.75   0.000% *  0.0541% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.88 +/- 1.12   0.001% *  0.0177% (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 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.04, residual support = 33.4:
      O   HN    SER   82 - HB2   SER   82   2.13 +/- 0.13  99.829% * 99.0159% (0.39  10.0   4.04  33.45) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   6.90 +/- 1.11   0.168% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  13.67 +/- 1.87   0.003% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.48 +/- 2.38   0.000% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.54 +/- 1.93   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.06 +/- 1.77   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  26.78 +/- 1.08   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.08 +/- 1.54   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.94 +/- 0.81   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.34, residual support = 41.9:
          HN    ALA   84 - HB    VAL   83   3.13 +/- 0.28  99.991% * 98.8159% (0.44   5.34  41.93) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  17.55 +/- 2.66   0.005% *  0.6813% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.33 +/- 1.93   0.002% *  0.3698% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.88 +/- 1.48   0.002% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.09 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   2.45 +/- 0.46  99.989% * 99.8243% (0.65  10.0   4.77  87.03) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.63 +/- 1.59   0.003% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  14.95 +/- 1.85   0.007% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.13 +/- 0.84  83.812% * 31.7530% (0.96   0.02   0.02) =  86.347%  kept
          HD21  ASN   28 - HA    ALA   84  10.08 +/- 0.98  11.056% * 30.7120% (0.93   0.02   0.02) =  11.017%  kept
          QE    PHE   60 - HA    ALA   84  12.80 +/- 1.46   4.451% * 16.7431% (0.51   0.02   0.02) =   2.418%  kept
          HN    ILE   56 - HA    ALA   84  17.65 +/- 1.00   0.451% *  8.8482% (0.27   0.02   0.02) =   0.129%
          HN    LEU   63 - HA    ALA   84  19.81 +/- 1.02   0.231% * 11.9438% (0.36   0.02   0.02) =   0.090%
    Distance limit 3.45 A violated in 20 structures by 3.47 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.314, residual support = 0.504:
          QE    PHE   45 - HA    ALA   84   3.61 +/- 1.96  99.254% * 90.5165% (0.81   0.31   0.50) =  99.949%  kept
          QD    PHE   72 - HA    ALA   84  14.99 +/- 0.93   0.640% *  6.6504% (0.93   0.02   0.02) =   0.047%
          HZ    PHE   72 - HA    ALA   84  19.24 +/- 1.30   0.107% *  2.8330% (0.40   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 2 structures by 0.57 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 = 1.47, residual support = 13.6:
          HB    ILE   89 - HA    ALA   84   2.89 +/- 1.16  99.969% * 98.5666% (0.91   1.47  13.62) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  15.53 +/- 1.31   0.026% *  0.6335% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  19.49 +/- 1.52   0.005% *  0.7999% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 2 structures by 0.24 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.769, support = 3.27, residual support = 28.7:
          QG2   VAL   83 - HA    ALA   84   3.58 +/- 0.41  56.144% * 47.1482% (0.66   3.55  41.93) =  53.428%  kept
          QD1   ILE   89 - HA    ALA   84   3.76 +/- 0.66  43.738% * 52.7554% (0.89   2.96  13.62) =  46.572%  kept
          QD2   LEU   31 - HA    ALA   84  10.35 +/- 0.93   0.118% *  0.0964% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.93, residual support = 13.6:
          HG13  ILE   89 - HA    ALA   84   3.17 +/- 1.43 100.000% *100.0000% (0.55   2.93  13.62) = 100.000%  kept
    Distance limit 3.77 A violated in 4 structures by 0.42 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.774, support = 3.77, residual support = 28.1:
          QG2   VAL   83 - QB    ALA   84   4.10 +/- 0.49  56.396% * 44.1992% (0.66  1.00   3.92  41.93) =  51.160%  kept
          QD1   ILE   89 - QB    ALA   84   4.29 +/- 0.52  43.275% * 54.9812% (0.89  1.00   3.62  13.62) =  48.834%  kept
        T QD2   LEU   31 - QB    ALA   84   9.79 +/- 0.73   0.329% *  0.8196% (0.24 10.00   0.02   0.02) =   0.006%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.66, residual support = 13.6:
          HG13  ILE   89 - QB    ALA   84   3.93 +/- 1.10 100.000% *100.0000% (0.55   3.66  13.62) = 100.000%  kept
    Distance limit 3.70 A violated in 4 structures by 0.47 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.19, residual support = 0.505:
          QD    PHE   45 - QB    ALA   84   4.05 +/- 1.51  99.941% * 96.2836% (0.87   0.19   0.50) =  99.999%  kept
          HD2   HIS  122 - QB    ALA   84  18.51 +/- 2.16   0.045% *  1.9757% (0.17   0.02   0.02) =   0.001%
          HE22  GLN  116 - QB    ALA   84  22.00 +/- 2.31   0.014% *  1.7407% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 3 structures by 0.54 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 = 0.71, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  10.40 +/- 1.18  73.096% * 28.9138% (0.59   0.02   0.02) =  63.365%  kept
          HE22  GLN   30 - QB    ALA   84  12.59 +/- 1.47  26.148% * 46.0056% (0.93   0.02   0.02) =  36.066%  kept
          HD22  ASN   69 - QB    ALA   84  22.53 +/- 1.17   0.756% * 25.0806% (0.51   0.02   0.02) =   0.569%  kept
    Distance limit 4.13 A violated in 20 structures by 5.60 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.2:
      O   HN    SER   85 - QB    SER   85   2.18 +/- 0.07  99.980% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.69 +/- 2.01   0.005% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.06 +/- 0.86   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.11 +/- 0.98   0.008% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.05 +/- 0.94   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.44 +/- 1.33   0.004% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.21 +/- 0.67   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  21.87 +/- 1.42   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.10 +/- 1.92   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.99 +/- 1.65   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  22.84 +/- 1.27   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.29 +/- 1.79   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.00 +/- 0.09  99.898% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.02 +/- 0.50   0.007% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  15.57 +/- 0.49   0.005% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  14.10 +/- 2.13   0.019% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.65 +/- 0.69   0.056% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.05 +/- 1.62   0.002% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  18.84 +/- 1.56   0.002% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  21.08 +/- 2.20   0.002% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  16.78 +/- 2.04   0.004% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.63 +/- 1.94   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  23.83 +/- 3.52   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.85 +/- 2.97   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.26 +/- 1.41   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  18.52 +/- 1.29   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.13 +/- 1.33   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  22.77 +/- 2.04   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.40 +/- 2.20   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.21 +/- 1.60   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.2:
      O   HN    SER  117 - QB    SER  117   2.17 +/- 0.06  99.999% * 98.5738% (0.12  10.0   2.79  15.24) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.31 +/- 1.65   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  24.52 +/- 1.94   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.29 +/- 1.75   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.36 +/- 1.59   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.14 +/- 1.78   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.2:
      O   HN    SER   85 - HA    SER   85   2.80 +/- 0.04  99.985% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  12.71 +/- 1.08   0.013% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  19.33 +/- 0.58   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  21.30 +/- 0.50   0.001% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.8:
      O   HN    ASP-  86 - HB3   ASP-  86   2.68 +/- 0.62  99.960% * 99.6620% (0.95  10.0   3.56  41.83) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.75 +/- 1.85   0.014% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  13.46 +/- 1.92   0.016% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.53 +/- 3.15   0.009% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  23.60 +/- 4.97   0.001% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  28.02 +/- 2.00   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.04, residual support = 41.8:
      O   HN    ASP-  86 - HB2   ASP-  86   2.65 +/- 0.24  99.983% * 99.2641% (0.49  10.0   5.04  41.83) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.59 +/- 2.03   0.007% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.94 +/- 3.20   0.003% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.55 +/- 2.08   0.007% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  22.51 +/- 4.71   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  27.35 +/- 1.87   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.433, support = 3.6, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.56 +/- 0.17  82.611% * 37.6218% (0.38   3.60  22.50) =  74.870%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.72 +/- 0.36  17.216% * 60.5879% (0.61   3.59  22.50) =  25.128%  kept
          HN    ALA   91 - HB2   ASP-  86  11.22 +/- 0.89   0.096% *  0.5261% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.87 +/- 1.26   0.071% *  0.5367% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  20.85 +/- 1.73   0.003% *  0.4988% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  20.47 +/- 2.48   0.003% *  0.2286% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.12 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   3.13 +/- 0.48  98.907% * 98.2344% (0.22 10.00   2.25  10.73) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   6.74 +/- 0.58   1.053% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   ASP-  86  17.83 +/- 2.30   0.017% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   ASP-  86  15.73 +/- 1.84   0.010% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.94 +/- 2.35   0.005% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  18.67 +/- 3.03   0.004% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.07 +/- 2.50   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  20.46 +/- 1.95   0.002% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  26.84 +/- 1.90   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.8:
      O   HN    ASP-  86 - HA    ASP-  86   2.73 +/- 0.02  99.992% * 99.2641% (0.49  10.0   4.05  41.83) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  17.71 +/- 3.17   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  15.89 +/- 1.46   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.57 +/- 1.58   0.003% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  24.74 +/- 4.70   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.91 +/- 2.62   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 70.4:
          HE3   TRP   87 - HA    TRP   87   3.08 +/- 0.23  99.848% * 98.5772% (0.99   3.55  70.38) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.49 +/- 0.87   0.139% *  0.4860% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  15.19 +/- 0.83   0.009% *  0.2948% (0.53   0.02   6.06) =   0.000%
          HN    ALA   61 - HA    TRP   87  20.33 +/- 2.45   0.004% *  0.5172% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  23.09 +/- 2.15   0.001% *  0.1247% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 70.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.55 +/- 0.09  99.873% * 99.7445% (0.99  10.0   3.24  70.38) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   8.89 +/- 0.86   0.122% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  14.55 +/- 0.73   0.003% *  0.0529% (0.53   1.0   0.02   6.06) =   0.000%
          HN    ALA   61 - HB2   TRP   87  18.32 +/- 2.20   0.002% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.28 +/- 1.71   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 70.4:
      O   HE3   TRP   87 - HB3   TRP   87   4.07 +/- 0.04  97.244% * 99.7445% (0.99  10.0   3.24  70.38) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.58 +/- 0.52   2.666% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  14.04 +/- 0.56   0.059% *  0.0529% (0.53   1.0   0.02   6.06) =   0.000%
          HN    ALA   61 - HB3   TRP   87  17.80 +/- 2.03   0.025% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  21.16 +/- 1.61   0.006% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 5 structures by 0.87 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.07, residual support = 18.3:
          QD1   ILE   89 - HB2   TRP   87   3.23 +/- 0.25  96.717% * 59.1396% (0.90   2.09  18.54) =  97.807%  kept
          QG2   VAL   83 - HB2   TRP   87   6.06 +/- 0.71   3.173% * 40.4016% (1.00   1.28   9.51) =   2.192%  kept
          QD2   LEU   31 - HB2   TRP   87  10.32 +/- 1.64   0.110% *  0.4588% (0.73   0.02   2.03) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.67, residual support = 18.5:
        T QD1   ILE   89 - HB3   TRP   87   2.06 +/- 0.22  99.394% * 99.8495% (0.45 10.00   3.67  18.54) = 100.000%  kept
          QG2   VAL   83 - HB3   TRP   87   5.46 +/- 0.73   0.531% *  0.0496% (0.22  1.00   0.02   9.51) =   0.000%
          QG2   VAL   75 - HB3   TRP   87   7.22 +/- 0.83   0.071% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  11.61 +/- 1.07   0.004% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.222, support = 0.746, residual support = 18.5:
          HG12  ILE   89 - HB3   TRP   87   2.59 +/- 0.93  95.698% * 54.8868% (0.22   0.75  18.54) =  99.527%  kept
          HG2   LYS+  74 - HB3   TRP   87  12.20 +/- 2.30   3.634% *  5.8960% (0.90   0.02   0.02) =   0.406%
          QB    ALA   91 - HB3   TRP   87   7.99 +/- 0.69   0.559% *  5.7027% (0.87   0.02   0.02) =   0.060%
          QG2   ILE   56 - HB3   TRP   87  12.71 +/- 2.00   0.078% *  2.7027% (0.41   0.02   0.02) =   0.004%
          HG13  ILE   19 - HB3   TRP   87  17.79 +/- 1.57   0.008% *  6.5596% (1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB3   TRP   87  13.87 +/- 1.17   0.011% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  17.34 +/- 1.10   0.003% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  19.23 +/- 1.31   0.002% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  18.80 +/- 2.12   0.002% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  16.36 +/- 2.53   0.004% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  22.79 +/- 2.16   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.06 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 +/- 0.04  99.999% * 99.0353% (0.38  10.0   1.63  11.34) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.18 +/- 0.92   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  19.97 +/- 1.28   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  19.16 +/- 1.50   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.29 +/- 2.42   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.89, residual support = 11.3:
      O   HN    ALA   88 - QB    ALA   88   2.88 +/- 0.09  99.985% * 99.1667% (0.38  10.0   1.89  11.34) = 100.000%  kept
          HN    LEU   31 - QB    ALA   88  15.83 +/- 1.18   0.006% *  0.2422% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   88  16.69 +/- 1.30   0.003% *  0.2422% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.25 +/- 1.51   0.004% *  0.1252% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  19.27 +/- 2.33   0.002% *  0.2236% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 214.5:
          QD1   ILE   89 - HA    ILE   89   2.59 +/- 0.56  98.276% * 99.6619% (0.92   5.98 214.51) =  99.996%  kept
          QG2   VAL   83 - HA    ILE   89   7.31 +/- 1.01   1.711% *  0.2481% (0.69   0.02   0.02) =   0.004%
          QD2   LEU   31 - HA    ILE   89  12.81 +/- 0.65   0.013% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.21, residual support = 38.8:
      O   HN    GLN   90 - HA    ILE   89   2.48 +/- 0.38  99.711% * 99.8365% (0.99  10.0   6.21  38.83) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   9.57 +/- 2.83   0.246% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.04 +/- 0.84   0.040% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  16.15 +/- 2.20   0.002% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 214.5:
      O   HN    ILE   89 - HA    ILE   89   2.68 +/- 0.17  99.970% * 99.6601% (0.76  10.0   6.00 214.51) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  14.81 +/- 2.30   0.028% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.82 +/- 1.55   0.001% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  24.73 +/- 0.67   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  21.25 +/- 0.82   0.000% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 2.45, residual support = 8.11:
          HN    ALA   91 - HA    ILE   89   3.73 +/- 0.46  85.408% * 80.8005% (0.95   2.49   7.76) =  96.729%  kept
          HD1   TRP   87 - HA    ILE   89   5.27 +/- 0.33  13.522% * 17.2230% (0.38   1.34  18.54) =   3.264%  kept
          HE3   TRP   87 - HA    ILE   89   8.06 +/- 0.51   1.016% *  0.4163% (0.61   0.02  18.54) =   0.006%
          HN    TRP   27 - HA    ILE   89  15.83 +/- 1.48   0.039% *  0.6624% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  17.32 +/- 2.12   0.013% *  0.6156% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  23.42 +/- 0.61   0.002% *  0.2822% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 214.5:
      O T QD1   ILE   89 - HB    ILE   89   2.92 +/- 0.48  90.114% * 99.6065% (0.74  10.0 10.00   5.31 214.51) =  99.989%  kept
        T QD1   ILE   89 - HB    VAL   43   5.81 +/- 0.77   2.320% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   83 - HB    ILE   89   5.54 +/- 1.04   3.783% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   31 - HB    VAL   43   6.00 +/- 0.79   2.271% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   6.74 +/- 1.61   1.480% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  11.65 +/- 0.79   0.032% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 214.5:
      O T HG13  ILE   89 - HB    ILE   89   2.46 +/- 0.23  99.837% * 99.7821% (0.78  10.0 10.00   4.97 214.51) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   7.53 +/- 0.94   0.163% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 214.5:
      O   HN    ILE   89 - HB    ILE   89   2.66 +/- 0.41  99.760% * 99.5645% (0.61  10.0   5.57 214.51) = 100.000%  kept
          HN    CYS   21 - HB    ILE   89  13.00 +/- 1.98   0.061% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    VAL   43   9.61 +/- 0.97   0.103% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43   9.89 +/- 0.79   0.051% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  18.94 +/- 1.44   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.20 +/- 2.25   0.005% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  12.72 +/- 0.80   0.014% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.44 +/- 0.82   0.004% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  19.76 +/- 0.79   0.001% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  23.70 +/- 0.91   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.53 +/- 1.00 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.47 A violated in 20 structures by 6.07 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 = 18.5:
          HD1   TRP   87 - QG2   ILE   89   4.13 +/- 0.16  99.746% * 92.1763% (0.95   0.75  18.54) =  99.997%  kept
          HN    TRP   27 - QG2   ILE   89  11.77 +/- 0.61   0.202% *  0.8864% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 102 - QG2   ILE   89  15.98 +/- 0.80   0.031% *  2.0807% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  18.85 +/- 0.59   0.011% *  2.3987% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  19.54 +/- 0.50   0.009% *  2.4580% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 2 structures by 0.61 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.06, residual support = 38.8:
          HN    GLN   90 - QG2   ILE   89   2.33 +/- 0.59  99.901% * 99.1675% (0.61   7.06  38.83) = 100.000%  kept
          HN    SER   82 - QG2   ILE   89   8.31 +/- 0.55   0.088% *  0.4276% (0.92   0.02   0.02) =   0.000%
          HN    ILE  103 - QG2   ILE   89  13.92 +/- 1.38   0.005% *  0.1904% (0.41   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  18.27 +/- 1.18   0.003% *  0.1430% (0.31   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  14.94 +/- 1.19   0.003% *  0.0715% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.1:
        T HB2   PHE   45 - QG2   ILE   89   2.95 +/- 0.58  99.661% * 99.5807% (0.97 10.00   0.75  12.06) =  99.999%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.59 +/- 2.00   0.185% *  0.2745% (1.00  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QG2   ILE   89  10.34 +/- 1.50   0.154% *  0.1448% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.163, support = 5.36, residual support = 37.9:
          QG    GLN   90 - QG2   ILE   89   3.91 +/- 0.42  87.470% * 66.0702% (0.15   5.49  38.83) =  97.507%  kept
          HG2   MET   92 - QG2   ILE   89   6.59 +/- 0.89   5.642% * 13.4276% (0.73   0.24   0.02) =   1.278%  kept
          HB2   ASP-  44 - QG2   ILE   89   7.84 +/- 1.01   4.866% * 14.5420% (0.28   0.67   0.02) =   1.194%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.38 +/- 1.02   0.502% *  0.8834% (0.57   0.02   0.02) =   0.007%
          QG    GLU- 114 - QG2   ILE   89  10.24 +/- 1.33   0.398% *  1.0094% (0.65   0.02   0.02) =   0.007%
          HG2   PRO   52 - QG2   ILE   89   9.16 +/- 1.73   0.996% *  0.3474% (0.22   0.02   0.02) =   0.006%
          HB3   PHE   72 - QG2   ILE   89  12.64 +/- 1.20   0.103% *  0.3088% (0.20   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE   89  17.51 +/- 1.25   0.012% *  0.5856% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  22.11 +/- 0.50   0.003% *  1.1331% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.12 +/- 1.55   0.007% *  0.3891% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  26.16 +/- 1.75   0.001% *  1.3033% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 12.1:
        T HB3   PHE   45 - QG2   ILE   89   2.92 +/- 0.67  98.891% * 90.9682% (0.49 10.00   0.75  12.06) =  99.950%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.86 +/- 0.43   0.587% *  7.5932% (1.00  1.00   0.30   0.02) =   0.050%
          HG3   MET   96 - QG2   ILE   89   8.40 +/- 1.01   0.313% *  0.1700% (0.34  1.00   0.02   2.22) =   0.001%
          HB    VAL  107 - QG2   ILE   89   9.15 +/- 0.72   0.163% *  0.0769% (0.15  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  12.94 +/- 1.57   0.029% *  0.2426% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  15.65 +/- 1.19   0.011% *  0.3809% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  16.93 +/- 0.51   0.005% *  0.4810% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  21.86 +/- 1.17   0.001% *  0.0873% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.472, support = 2.18, residual support = 12.6:
          QB    ALA   84 - QG2   ILE   89   3.21 +/- 0.97  86.038% * 24.9078% (0.49   1.91  13.62) =  87.673%  kept
          QB    ALA   88 - QG2   ILE   89   5.39 +/- 0.15   4.941% * 44.1074% (0.31   5.34   7.70) =   8.916%  kept
          HB3   PRO   93 - QG2   ILE   89   7.00 +/- 1.28   5.410% * 11.8541% (0.45   0.99   0.02) =   2.624%  kept
          HB3   ASP-  44 - QG2   ILE   89   7.30 +/- 1.16   1.153% * 15.5753% (0.87   0.67   0.02) =   0.735%  kept
          HB3   LEU   80 - QG2   ILE   89   7.06 +/- 0.83   2.225% *  0.5309% (0.99   0.02   0.02) =   0.048%
          HG2   LYS+ 111 - QG2   ILE   89  12.13 +/- 2.21   0.149% *  0.5170% (0.97   0.02   0.02) =   0.003%
          HG    LEU   98 - QG2   ILE   89  11.69 +/- 1.45   0.042% *  0.3249% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  13.22 +/- 1.16   0.023% *  0.5067% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - QG2   ILE   89  13.92 +/- 0.58   0.013% *  0.5309% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.83 +/- 0.71   0.003% *  0.4094% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.46 +/- 1.53   0.002% *  0.3890% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  21.16 +/- 0.61   0.001% *  0.3465% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 214.5:
      O T HG13  ILE   89 - QG2   ILE   89   2.47 +/- 0.25 100.000% *100.0000% (0.98  10.0 10.00   5.69 214.51) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 214.5:
        T QD1   ILE   89 - QG2   ILE   89   2.05 +/- 0.37  98.021% * 99.2348% (0.92 10.00   6.31 214.51) =  99.985%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.30 +/- 0.63   1.967% *  0.7384% (0.69 10.00   0.02   0.02) =   0.015%
          QD2   LEU   31 - QG2   ILE   89   9.93 +/- 0.51   0.012% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.46, residual support = 214.5:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  99.352% * 99.4549% (0.92  10.0 10.00   5.46 214.51) = 100.000%  kept
          QG2   VAL   83 - HG12  ILE   89   5.55 +/- 1.12   0.633% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  15.74 +/- 1.02   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  10.94 +/- 0.74   0.006% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.99 +/- 1.35   0.007% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.54 +/- 1.95   0.001% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.11, residual support = 214.5:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.11 214.51) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  19.82 +/- 1.10   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 214.5:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.02  97.952% * 99.8079% (0.90  10.0 10.00   5.27 214.51) =  99.998%  kept
          QG2   VAL   83 - HG13  ILE   89   5.03 +/- 1.32   2.039% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HG13  ILE   89  10.36 +/- 0.89   0.009% *  0.0808% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 214.5:
      O T QG2   ILE   89 - HG13  ILE   89   2.47 +/- 0.25  99.350% * 99.9734% (0.84  10.0 10.00   5.69 214.51) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.04 +/- 1.41   0.650% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 214.5:
      O T HB    ILE   89 - HG13  ILE   89   2.46 +/- 0.23  99.806% * 98.8208% (0.49  10.0 10.00   4.97 214.51) =  99.998%  kept
        T HB    VAL   43 - HG13  ILE   89   7.53 +/- 0.94   0.163% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG13  ILE   89   9.97 +/- 1.05   0.029% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  17.90 +/- 1.21   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.76 +/- 1.11   0.001% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 214.5:
          HN    ILE   89 - HG13  ILE   89   3.45 +/- 0.51  99.590% * 98.7800% (0.76   5.52 214.51) =  99.998%  kept
          HN    CYS   21 - HG13  ILE   89  12.01 +/- 2.01   0.390% *  0.4197% (0.90   0.02   0.02) =   0.002%
          HN    ILE  119 - HG13  ILE   89  17.81 +/- 1.95   0.013% *  0.4427% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  18.28 +/- 1.01   0.005% *  0.0926% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  22.04 +/- 0.92   0.002% *  0.2650% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 214.5:
          HN    ILE   89 - HG12  ILE   89   2.14 +/- 0.58  99.811% * 98.2153% (0.76   5.72 214.51) =  99.999%  kept
          HN    CYS   21 - HG12  ILE   89  13.38 +/- 2.44   0.158% *  0.4028% (0.90   0.02   0.02) =   0.001%
          HN    SER   37 - HG3   LYS+  99  11.05 +/- 1.26   0.021% *  0.1031% (0.23   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  18.28 +/- 2.06   0.002% *  0.4248% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  17.81 +/- 3.58   0.002% *  0.1723% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  14.10 +/- 1.18   0.005% *  0.0360% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.98 +/- 1.11   0.001% *  0.1633% (0.36   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  22.64 +/- 0.79   0.000% *  0.2543% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  19.00 +/- 0.86   0.001% *  0.0889% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.31 +/- 1.30   0.000% *  0.1392% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 214.5:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 214.51) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.31, residual support = 214.5:
        T QG2   ILE   89 - QD1   ILE   89   2.05 +/- 0.37  99.790% * 99.7342% (0.84 10.00   6.31 214.51) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.56 +/- 0.81   0.210% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 214.5:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  96.016% * 99.2664% (1.00  10.0 10.00   5.46 214.51) =  99.998%  kept
          HG2   LYS+  74 - QD1   ILE   89   8.45 +/- 1.97   3.968% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD1   ILE   89  12.28 +/- 2.21   0.011% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  15.74 +/- 1.02   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  13.94 +/- 1.04   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  13.80 +/- 1.35   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  15.33 +/- 1.28   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  15.44 +/- 1.96   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 214.5:
      O T HB    ILE   89 - QD1   ILE   89   2.92 +/- 0.48  97.310% * 98.8208% (0.49  10.0 10.00   5.31 214.51) =  99.974%  kept
        T HB    VAL   43 - QD1   ILE   89   5.81 +/- 0.77   2.530% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.026%
          QD    LYS+  81 - QD1   ILE   89   9.42 +/- 0.76   0.138% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  14.09 +/- 1.15   0.011% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  13.97 +/- 1.16   0.011% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 2.22:
        T HB3   MET   96 - QD1   ILE   89   4.79 +/- 1.46  94.284% * 98.5213% (0.53 10.00   0.75   2.22) =  99.981%  kept
          HB    VAL   18 - QD1   ILE   89  12.22 +/- 1.50   4.529% *  0.3029% (0.61  1.00   0.02   0.02) =   0.015%
          HB3   ARG+  54 - QD1   ILE   89  14.18 +/- 1.35   0.568% *  0.4332% (0.87  1.00   0.02   0.02) =   0.003%
          HB2   LEU   40 - QD1   ILE   89  14.89 +/- 0.88   0.189% *  0.4478% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD1   ILE   89  15.24 +/- 1.34   0.285% *  0.1703% (0.34  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   ILE   89  20.80 +/- 2.15   0.145% *  0.1245% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 10 structures by 1.30 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.67, residual support = 18.5:
        T HB3   TRP   87 - QD1   ILE   89   2.06 +/- 0.22  99.092% * 99.8369% (0.76 10.00   3.67  18.54) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   6.21 +/- 1.75   0.907% *  0.0177% (0.14  1.00   0.02   2.22) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  16.39 +/- 2.03   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  20.23 +/- 1.09   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.494, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.35 +/- 1.16  55.938% * 62.4025% (0.57   0.02   0.02) =  67.816%  kept
          HB    THR  118 - QD1   ILE   89  12.07 +/- 1.82  44.062% * 37.5975% (0.34   0.02   0.02) =  32.184%  kept
    Distance limit 2.88 A violated in 20 structures by 7.28 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.02, residual support = 12.1:
          QD    PHE   45 - QD1   ILE   89   3.03 +/- 0.47  99.965% * 95.1379% (0.45   2.02  12.06) =  99.999%  kept
          HD2   HIS  122 - QD1   ILE   89  14.07 +/- 2.36   0.021% *  2.0840% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  17.74 +/- 1.98   0.007% *  2.0610% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  18.58 +/- 2.08   0.007% *  0.7172% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.31, residual support = 18.5:
          HN    TRP   87 - QD1   ILE   89   4.05 +/- 0.39  79.288% * 79.0824% (0.97   2.33  18.54) =  93.943%  kept
          HE3   TRP   87 - QD1   ILE   89   5.14 +/- 0.31  20.677% * 19.5508% (0.28   2.00  18.54) =   6.056%  kept
          HN    GLN   17 - QD1   ILE   89  16.42 +/- 1.39   0.026% *  0.7024% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  19.02 +/- 1.23   0.009% *  0.6644% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 214.5:
          HN    ILE   89 - QD1   ILE   89   2.96 +/- 0.45  99.876% * 98.8561% (0.76   5.90 214.51) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  10.40 +/- 1.69   0.097% *  0.3935% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  13.76 +/- 1.58   0.018% *  0.4151% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  18.20 +/- 0.50   0.003% *  0.2484% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  15.39 +/- 0.39   0.007% *  0.0868% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.67, residual support = 89.9:
          HN    GLN   90 - QG    GLN   90   2.48 +/- 0.61  99.925% * 99.2273% (0.69   5.67  89.92) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90   9.69 +/- 3.11   0.073% *  0.3500% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  16.92 +/- 2.26   0.002% *  0.4227% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 89.9:
      O   HN    GLN   90 - HB3   GLN   90   3.50 +/- 0.26  98.640% * 99.8365% (0.83  10.0   5.58  89.92) =  99.999%  kept
          HN    SER   82 - HB3   GLN   90  12.06 +/- 3.08   0.850% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  10.91 +/- 3.34   0.506% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  20.40 +/- 2.22   0.003% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.17, residual support = 56.3:
      O   HN    GLU-  79 - HB3   GLU-  79   2.94 +/- 0.36  98.554% * 98.3257% (0.16  10.0   4.17  56.33) =  99.997%  kept
          HN    SER   85 - HB2   GLN   90   8.40 +/- 1.46   0.451% *  0.3734% (0.61   1.0   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB2   GLN   90  12.34 +/- 2.81   0.851% *  0.1359% (0.22   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HB2   GLN   90  10.63 +/- 0.64   0.065% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.71 +/- 0.65   0.064% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  14.13 +/- 0.78   0.010% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.52 +/- 1.17   0.004% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  23.71 +/- 1.22   0.001% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.35, residual support = 56.3:
      O T HA    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.20  97.208% * 97.1719% (0.57  10.0 10.00   4.35  56.33) =  99.996%  kept
          HB    THR   77 - HB2   GLN   90   8.25 +/- 2.75   1.833% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLN   90   7.19 +/- 1.09   0.680% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  13.82 +/- 2.92   0.029% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.10 +/- 0.38   0.202% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.47 +/- 1.21   0.011% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.20 +/- 0.60   0.010% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.49 +/- 0.96   0.011% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.31 +/- 1.95   0.006% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.65 +/- 3.19   0.005% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.84 +/- 2.71   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.89 +/- 1.73   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.91 +/- 1.66   0.002% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.47 +/- 1.40   0.001% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.47 +/- 1.10   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.07 +/- 1.34   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  31.65 +/- 2.44   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  40.20 +/- 3.86   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.566, residual support = 0.553:
          QB    ALA   88 - QG    GLN   90   4.24 +/- 1.46  71.944% * 91.0492% (0.62   0.58   0.56) =  98.108%  kept
          QG2   THR   77 - QG    GLN   90   5.86 +/- 1.92  27.999% *  4.5086% (0.88   0.02   0.02) =   1.891%  kept
          QG2   THR   23 - QG    GLN   90  14.27 +/- 2.52   0.055% *  1.7263% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG    GLN   90  21.88 +/- 1.28   0.002% *  1.1469% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  25.69 +/- 0.94   0.001% *  1.5690% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.14 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 = 0.541, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   8.54 +/- 2.52  59.854% *  3.4351% (0.18   0.02   0.02) =  36.668%  kept
          HD3   LYS+  74 - QG    GLN   90  13.12 +/- 2.41   7.961% * 17.3194% (0.89   0.02   0.02) =  24.591%  kept
          HB3   LYS+ 111 - QG    GLN   90  13.82 +/- 2.54   7.302% * 17.3580% (0.90   0.02   0.02) =  22.604%  kept
          HG2   LYS+ 106 - QG    GLN   90  12.43 +/- 3.15  22.081% *  2.6782% (0.14   0.02   0.02) =  10.547%  kept
          HG    LEU  104 - QG    GLN   90  18.72 +/- 1.61   0.754% * 17.0143% (0.88   0.02   0.02) =   2.288%  kept
          HB3   LYS+ 121 - QG    GLN   90  19.71 +/- 2.36   0.665% * 17.0143% (0.88   0.02   0.02) =   2.019%  kept
          HD2   LYS+ 121 - QG    GLN   90  19.60 +/- 2.73   0.731% *  3.8645% (0.20   0.02   0.02) =   0.504%  kept
          QD    LYS+  66 - QG    GLN   90  21.88 +/- 1.86   0.221% *  9.8273% (0.51   0.02   0.02) =   0.387%
          HG2   LYS+  33 - QG    GLN   90  22.26 +/- 1.47   0.166% *  8.4490% (0.44   0.02   0.02) =   0.249%
          HG2   LYS+  65 - QG    GLN   90  22.08 +/- 2.66   0.266% *  3.0399% (0.16   0.02   0.02) =   0.144%
    Distance limit 3.65 A violated in 18 structures by 3.65 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 62.1:
      O   HG3   MET   92 - HB2   MET   92   2.64 +/- 0.20  99.750% * 96.5136% (0.73  10.0  1.00   2.96  62.13) =  99.998%  kept
        T QG    GLN   90 - HB2   MET   92   8.32 +/- 0.98   0.222% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB2   MET   92  12.25 +/- 0.99   0.012% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  16.93 +/- 1.14   0.002% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.13 +/- 1.45   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.43 +/- 2.11   0.009% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  23.98 +/- 1.29   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.72 +/- 1.66   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.14 +/- 1.38   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  24.82 +/- 1.41   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  28.78 +/- 0.93   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 62.1:
      O   HN    MET   92 - HB2   MET   92   2.67 +/- 0.71  99.315% * 99.7272% (0.92  10.0   3.65  62.13) =  99.999%  kept
          HN    THR   46 - HB2   MET   92   8.64 +/- 1.30   0.401% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.84 +/- 2.52   0.278% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.26 +/- 1.35   0.006% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.26 +/- 1.95   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.1:
      O T HA    MET   92 - HB2   MET   92   2.86 +/- 0.22  99.999% * 99.8006% (0.61  10.0 10.00   3.87  62.13) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.28 +/- 2.02   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  20.88 +/- 0.78   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 62.1:
      O   HG3   MET   92 - HB3   MET   92   2.53 +/- 0.29  99.892% * 99.2141% (0.73  10.0   3.29  62.13) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   8.97 +/- 0.67   0.073% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.21 +/- 0.96   0.016% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  13.94 +/- 1.42   0.006% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.12 +/- 2.07   0.008% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.00 +/- 1.23   0.001% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  16.10 +/- 1.28   0.003% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.31 +/- 1.36   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  22.96 +/- 1.04   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  24.74 +/- 1.57   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.98 +/- 0.91   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.23, residual support = 62.1:
      O T HA    MET   92 - HB3   MET   92   2.83 +/- 0.17  99.998% * 99.8006% (0.61  10.0 10.00   4.23  62.13) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.17 +/- 1.90   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.96 +/- 0.57   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.1:
      O T HA    MET   92 - HG2   MET   92   2.46 +/- 0.38  99.999% * 99.8006% (0.61  10.0 10.00   2.49  62.13) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  22.96 +/- 1.95   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.15 +/- 1.02   0.000% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.296, support = 0.412, residual support = 2.94:
          HB2   SER   37 - QG2   THR   39   3.36 +/- 0.49  98.930% * 71.4086% (0.30   0.41   2.94) =  99.897%  kept
          HA1   GLY   16 - QG2   THR   39   8.28 +/- 1.34   0.977% *  6.9668% (0.60   0.02   0.02) =   0.096%
          HA    LYS+  66 - QG2   THR   39  11.86 +/- 0.89   0.076% *  5.3361% (0.46   0.02   0.02) =   0.006%
          HA1   GLY   16 - QG2   THR   23  18.46 +/- 0.53   0.005% *  3.9094% (0.33   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   THR   23  18.45 +/- 0.85   0.005% *  1.9413% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    ALA   91  21.27 +/- 1.74   0.002% *  3.2899% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    ALA   91  20.70 +/- 1.95   0.003% *  2.5198% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG2   THR   23  22.71 +/- 0.63   0.001% *  2.9943% (0.26   0.02   0.02) =   0.000%
          HB2   SER   37 - QB    ALA   91  24.44 +/- 0.93   0.001% *  1.6337% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.21 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 = 4.01, residual support = 62.1:
      O   HN    MET   92 - HB3   MET   92   3.54 +/- 0.34  98.445% * 99.8535% (0.92  10.0   4.01  62.13) =  99.999%  kept
          HN    THR   46 - HB3   MET   92   8.00 +/- 1.37   1.080% *  0.0827% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   MET   92  12.51 +/- 2.47   0.459% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  15.40 +/- 1.32   0.016% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 0.0198, residual support = 0.0198:
          HA    THR   46 - HB3   MET   92   5.86 +/- 1.53  78.030% * 16.4223% (0.80   0.02   0.02) =  92.144%  kept
          HA    PHE   55 - HB3   MET   92  10.33 +/- 1.77   8.696% *  6.3300% (0.31   0.02   0.02) =   3.958%  kept
          HA    GLN   90 - HB3   MET   92   8.76 +/- 0.35  11.987% *  3.5917% (0.18   0.02   0.02) =   3.096%  kept
          HA    VAL   42 - HB3   MET   92  16.27 +/- 0.56   0.279% * 18.3930% (0.90   0.02   0.02) =   0.370%
          HA    PRO   58 - HB3   MET   92  14.18 +/- 1.89   0.870% *  5.1139% (0.25   0.02   0.02) =   0.320%
          HA    GLN   17 - HB3   MET   92  19.93 +/- 1.57   0.067% * 17.7900% (0.87   0.02   0.02) =   0.086%
          HA    LEU   40 - HB3   MET   92  22.70 +/- 0.58   0.039% *  3.1644% (0.15   0.02   0.02) =   0.009%
          HA    GLU-  15 - HB3   MET   92  24.31 +/- 1.41   0.020% *  5.7022% (0.28   0.02   0.02) =   0.008%
          HA    SER   37 - HB3   MET   92  30.55 +/- 0.62   0.006% * 17.7900% (0.87   0.02   0.02) =   0.008%
          HA    SER   13 - HB3   MET   92  30.92 +/- 1.65   0.005% *  5.7022% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 12 structures by 1.52 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.1:
      O T HA    MET   92 - HG3   MET   92   3.31 +/- 0.45  99.965% * 99.9198% (0.99  10.0 10.00   3.97  62.13) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.01 +/- 1.59   0.033% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.20 +/- 2.26   0.002% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 62.1:
          HN    MET   92 - HG3   MET   92   3.88 +/- 0.50  97.713% * 99.2221% (0.92   3.74  62.13) =  99.990%  kept
          HN    THR   46 - HG3   MET   92   8.89 +/- 1.67   2.070% *  0.4388% (0.76   0.02   0.02) =   0.009%
          HN    ASP- 113 - HG3   MET   92  14.02 +/- 2.67   0.189% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  16.63 +/- 1.64   0.027% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.407, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB2   PRO   93   7.29 +/- 0.61  91.648% * 67.4545% (0.41   0.02   0.02) =  98.809%  kept
          HN    LYS+  65 - HB2   PRO   93  14.63 +/- 1.48   1.633% * 25.3164% (0.15   0.02   0.02) =   0.661%  kept
          QD    PHE   45 - HG3   GLN   30  12.08 +/- 1.14   6.075% *  5.2564% (0.03   0.02   0.02) =   0.510%  kept
          HN    LYS+  65 - HG3   GLN   30  17.19 +/- 1.35   0.644% *  1.9728% (0.01   0.02   0.02) =   0.020%
    Distance limit 4.22 A violated in 20 structures by 2.97 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.72 +/- 0.27  99.887% * 99.8806% (1.00  10.0   4.40  15.59) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  14.72 +/- 1.39   0.032% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.33 +/- 0.91   0.022% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  14.64 +/- 1.23   0.033% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.03 +/- 1.34   0.013% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  16.91 +/- 1.20   0.013% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.408, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.71 +/- 0.54  96.975% * 72.7108% (0.41   0.02   0.02) =  98.843%  kept
          HN    LYS+  65 - HG2   PRO   93  16.33 +/- 2.04   3.025% * 27.2892% (0.15   0.02   0.02) =   1.157%  kept
    Distance limit 4.06 A violated in 20 structures by 4.60 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   2.63 +/- 0.24  99.784% * 98.6893% (0.84  10.0  1.00   5.30 132.44) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.20 +/- 1.96   0.120% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   9.42 +/- 1.33   0.073% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  13.39 +/- 1.84   0.021% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  21.86 +/- 1.68   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.99 +/- 1.27   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.19 +/- 0.77   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  23.76 +/- 1.79   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  36.20 +/- 2.43   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.677% * 96.9677% (0.99  10.0 10.00   3.97 132.44) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   6.43 +/- 2.98   0.321% *  0.0367% (0.38   1.0  1.00   0.02   0.42) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  17.89 +/- 2.70   0.001% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  15.87 +/- 1.79   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.96 +/- 1.35   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.90 +/- 0.92   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  16.02 +/- 1.61   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.59 +/- 1.68   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.05 +/- 1.92   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.01 +/- 1.89   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.571% * 97.0769% (0.95  10.0 10.00   3.97 132.44) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   4.54 +/- 0.61   0.407% *  0.0947% (0.92   1.0  1.00   0.02   1.77) =   0.000%
        T HD2   LYS+ 111 - HG2   PRO   93   9.28 +/- 2.56   0.019% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.49 +/- 1.06   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.20 +/- 2.25   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.19 +/- 1.31   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.57 +/- 2.04   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.42 +/- 2.14   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  15.38 +/- 1.85   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.41 +/- 1.45   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.32 +/- 1.13   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.39 +/- 1.09   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.4:
      O   HD3   PRO   93 - HG3   PRO   93   2.39 +/- 0.21  95.008% * 99.5358% (0.97  10.0   3.97 132.44) =  99.995%  kept
          HB3   CYS   53 - HG3   PRO   93   6.07 +/- 2.40   3.590% *  0.0861% (0.84   1.0   0.02   0.02) =   0.003%
          QB    PHE   55 - HG3   PRO   93   6.10 +/- 2.28   1.292% *  0.1029% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   93   9.21 +/- 1.63   0.090% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.76 +/- 2.12   0.020% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  20.97 +/- 1.65   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.79 +/- 0.20  99.986% * 99.4436% (0.25  10.0   3.97 132.44) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  12.82 +/- 1.17   0.013% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  19.41 +/- 1.17   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.60 +/- 1.14   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  16.12 +/- 1.87 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.10 A violated in 20 structures by 12.02 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.707, support = 2.84, residual support = 6.09:
          HN    ALA  110 - HD2   PRO   93   5.62 +/- 2.92  78.411% * 83.6035% (0.71   2.95   6.38) =  95.344%  kept
          HN    PHE   45 - HD2   PRO   93   8.20 +/- 0.64  19.742% * 16.2058% (0.61   0.67   0.02) =   4.653%  kept
          HN    ASP-  44 - HD2   PRO   93  12.38 +/- 0.91   1.805% *  0.0893% (0.11   0.02   0.02) =   0.002%
          HN    GLU-  25 - HD2   PRO   93  22.41 +/- 1.06   0.043% *  0.1013% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 9 structures by 1.15 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.381, support = 0.958, residual support = 0.939:
          HA1   GLY  109 - HD2   PRO   93   6.78 +/- 2.53  63.837% * 88.7968% (0.38   0.97   0.95) =  98.890%  kept
          HA    CYS   50 - HD2   PRO   93   8.27 +/- 1.68  31.833% *  1.6967% (0.35   0.02   0.02) =   0.942%  kept
          HA    TRP   49 - HD2   PRO   93  12.10 +/- 1.32   3.387% *  2.3944% (0.50   0.02   0.02) =   0.141%
          HA    CYS   21 - HD2   PRO   93  19.23 +/- 1.14   0.254% *  3.0236% (0.63   0.02   0.02) =   0.013%
          HA    ALA   20 - HD2   PRO   93  16.98 +/- 1.47   0.587% *  0.6105% (0.13   0.02   0.02) =   0.006%
          HA    LYS+ 102 - HD2   PRO   93  22.33 +/- 1.02   0.103% *  3.4780% (0.72   0.02   0.02) =   0.006%
    Distance limit 4.12 A violated in 14 structures by 2.02 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.686, support = 2.31, residual support = 6.38:
          QB    ALA  110 - HD2   PRO   93   4.85 +/- 2.75  85.362% * 93.8228% (0.69   2.31   6.38) =  99.918%  kept
          QB    ALA   61 - HD2   PRO   93  12.64 +/- 2.01   4.453% *  0.8577% (0.72   0.02   0.02) =   0.048%
          HB3   LEU  115 - HD2   PRO   93   9.81 +/- 1.39   6.295% *  0.1505% (0.13   0.02   0.02) =   0.012%
          HG    LEU   80 - HD2   PRO   93  16.37 +/- 1.51   0.631% *  0.8295% (0.70   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HD2   PRO   93  17.72 +/- 2.09   0.988% *  0.2932% (0.25   0.02   0.02) =   0.004%
          HB2   LEU   80 - HD2   PRO   93  15.45 +/- 1.44   0.640% *  0.4184% (0.35   0.02   0.02) =   0.003%
          QG    LYS+  66 - HD2   PRO   93  17.80 +/- 1.91   0.300% *  0.6883% (0.58   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HD2   PRO   93  14.83 +/- 1.66   0.762% *  0.2653% (0.22   0.02   0.02) =   0.003%
          HG    LEU   73 - HD2   PRO   93  17.93 +/- 1.41   0.225% *  0.5214% (0.44   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD2   PRO   93  20.31 +/- 1.80   0.105% *  0.7709% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   67 - HD2   PRO   93  20.42 +/- 1.39   0.098% *  0.8131% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HD2   PRO   93  24.36 +/- 1.44   0.039% *  0.4184% (0.35   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.49 +/- 1.25   0.102% *  0.1505% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 6 structures by 1.50 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.576, support = 1.49, residual support = 9.79:
          QB    ALA  110 - HD3   PRO   93   5.15 +/- 3.03  47.338% * 57.1371% (0.78   0.75   6.38) =  71.223%  kept
          HB3   LEU   67 - HD3   PRO   68   4.30 +/- 0.44  40.856% * 25.9550% (0.08   3.41  18.77) =  27.924%  kept
          QG    LYS+  66 - HD3   PRO   68   5.73 +/- 1.17  11.017% *  2.8940% (0.05   0.60   0.02) =   0.840%  kept
          QB    ALA   61 - HD3   PRO   93  12.23 +/- 1.85   0.243% *  1.1363% (0.58   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HD3   PRO   93  14.45 +/- 1.64   0.047% *  1.4065% (0.72   0.02   0.02) =   0.002%
          HB2   LEU   80 - HD3   PRO   93  15.37 +/- 1.47   0.021% *  1.6616% (0.85   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.58 +/- 0.76   0.152% *  0.2022% (0.10   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  16.26 +/- 1.54   0.015% *  1.4672% (0.75   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   68  14.09 +/- 4.67   0.077% *  0.2611% (0.13   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD3   PRO   68  13.06 +/- 1.36   0.054% *  0.2886% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  18.45 +/- 2.26   0.010% *  1.4672% (0.75   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  13.50 +/- 1.27   0.045% *  0.1645% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  20.20 +/- 1.68   0.004% *  1.6215% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.56 +/- 0.62   0.008% *  0.9241% (0.47   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.74 +/- 1.76   0.009% *  0.5421% (0.28   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  17.72 +/- 2.24   0.013% *  0.2712% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.51 +/- 1.26   0.003% *  0.8550% (0.44   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  18.04 +/- 1.37   0.008% *  0.3076% (0.16   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  13.95 +/- 1.49   0.046% *  0.0547% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.77 +/- 1.38   0.009% *  0.2503% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.38 +/- 2.05   0.021% *  0.0869% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.22 +/- 1.19   0.001% *  0.2957% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  23.99 +/- 1.42   0.001% *  0.2611% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  27.99 +/- 1.61   0.001% *  0.4884% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   3.01 +/- 0.65 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.26 A violated in 2 structures by 0.15 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   2.97 +/- 1.16  98.776% * 98.9959% (0.77   2.00   5.50) =  99.991%  kept
          QG2   VAL   83 - HB    THR   94   7.97 +/- 0.84   1.082% *  0.7366% (0.57   0.02   0.02) =   0.008%
          QD2   LEU   31 - HB    THR   94  11.72 +/- 0.53   0.141% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 2 structures by 0.27 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   2.41 +/- 0.38  99.851% * 99.8423% (0.81 10.00   2.96  27.15) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  11.98 +/- 2.07   0.142% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  12.80 +/- 1.24   0.006% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  12.40 +/- 0.82 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 9.48 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.3:
      O   HN    THR   94 - HB    THR   94   2.87 +/- 0.19  99.915% * 99.8964% (0.83  10.0   3.08  25.28) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.54 +/- 0.85   0.029% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  10.56 +/- 1.48   0.056% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.3, residual support = 27.1:
          HN    PHE   45 - HB    THR   94   3.55 +/- 0.41  98.736% * 99.4994% (0.81   3.30  27.15) =  99.994%  kept
          HN    ALA  110 - HB    THR   94   8.77 +/- 2.25   1.264% *  0.5006% (0.67   0.02   0.02) =   0.006%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.52 +/- 0.78 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.13, residual support = 14.4:
          HN    PHE   95 - QG2   THR   94   2.75 +/- 0.23 100.000% *100.0000% (0.97   4.13  14.39) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.702, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  10.92 +/- 1.23  41.371% * 25.3593% (0.76   0.02   0.02) =  52.947%  kept
          HA    LEU  104 - HA    PHE   95  12.05 +/- 0.73  21.084% * 27.7167% (0.84   0.02   0.02) =  29.492%  kept
          HA    PHE   59 - HA    PHE   95  11.64 +/- 1.08  28.979% *  8.2742% (0.25   0.02   0.02) =  12.101%  kept
          HA    ASP-  86 - HA    PHE   95  14.33 +/- 1.27   7.716% * 12.4539% (0.38   0.02   0.02) =   4.850%  kept
          HA    GLU-  14 - HA    PHE   95  21.13 +/- 0.83   0.695% * 14.8769% (0.45   0.02   0.02) =   0.522%  kept
          HA    ALA   12 - HA    PHE   95  27.08 +/- 1.10   0.155% * 11.3190% (0.34   0.02   0.02) =   0.088%
    Distance limit 3.45 A violated in 20 structures by 5.73 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   2.64 +/- 0.49  99.962% * 99.8140% (0.87   3.44  73.52) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.58 +/- 0.54   0.038% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.20 +/- 0.01  99.993% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.02 +/- 0.84   0.007% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.52) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.43 +/- 0.14  99.992% * 99.9680% (0.87  10.0   3.00  73.52) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.91 +/- 0.76   0.008% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.55 +/- 0.20  99.988% * 99.9680% (0.87  10.0   3.31  73.52) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.99 +/- 0.94   0.012% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.2, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.64 +/- 0.12 100.000% *100.0000% (0.53  10.0   4.20  73.52) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 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   2.52 +/- 0.20 100.000% *100.0000% (0.53  10.0   3.86  73.52) = 100.000%  kept
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.834, support = 1.73, residual support = 45.6:
          QG2   VAL  107 - HB3   PHE   95   4.66 +/- 0.78  82.793% * 95.9716% (0.84   1.73  45.62) =  99.875%  kept
          HG13  ILE  119 - HB3   PHE   95   8.40 +/- 3.04  14.291% *  0.5450% (0.41   0.02   0.02) =   0.098%
          HG13  ILE  103 - HB3   PHE   95   9.27 +/- 1.05   1.858% *  0.4975% (0.38   0.02   0.02) =   0.012%
          HG2   LYS+ 121 - HB3   PHE   95  12.83 +/- 3.17   0.659% *  1.2994% (0.98   0.02   0.02) =   0.011%
          QB    ALA   20 - HB3   PHE   95  12.92 +/- 0.77   0.291% *  1.1889% (0.90   0.02   0.02) =   0.004%
          HB3   LEU   31 - HB3   PHE   95  15.18 +/- 0.99   0.108% *  0.4975% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 9 structures by 0.89 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.634, support = 1.43, residual support = 3.39:
          QD1   LEU   63 - HB3   PHE   95   4.44 +/- 1.72  72.968% * 49.3546% (0.57   1.56   2.65) =  79.304%  kept
          QD2   LEU  115 - HB3   PHE   95   7.64 +/- 2.66  19.956% * 46.8769% (0.90   0.93   6.24) =  20.600%  kept
          QD1   LEU   73 - HB3   PHE   95   8.98 +/- 1.82   5.677% *  0.6331% (0.57   0.02   0.02) =   0.079%
          QD1   LEU  104 - HB3   PHE   95   9.83 +/- 1.03   0.408% *  1.1183% (1.00   0.02   0.02) =   0.010%
          QG2   ILE   89 - HB3   PHE   95   8.47 +/- 0.66   0.812% *  0.1726% (0.15   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB3   PHE   95  12.40 +/- 0.66   0.104% *  1.0323% (0.92   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   PHE   95  13.12 +/- 1.13   0.075% *  0.8121% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 2 structures by 0.26 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.644, support = 0.747, residual support = 1.44:
          QG1   VAL   42 - HB3   PHE   95   3.64 +/- 0.49  97.911% * 78.7748% (0.65   0.75   1.45) =  99.588%  kept
          QB    ALA   64 - HB3   PHE   95   7.83 +/- 1.01   1.767% * 17.7413% (0.53   0.21   0.02) =   0.405%
          QB    ALA   47 - HB3   PHE   95  11.35 +/- 0.84   0.179% *  2.4816% (0.76   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HB3   PHE   95  12.91 +/- 2.56   0.142% *  1.0023% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.64 A violated in 2 structures by 0.16 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.6:
          QG2   VAL  107 - HB2   PHE   95   3.47 +/- 0.76  96.272% * 94.2628% (0.34   3.59  45.62) =  99.946%  kept
          HG13  ILE  119 - HB2   PHE   95   8.36 +/- 2.68   3.347% *  1.3796% (0.90   0.02   0.02) =   0.051%
          HG2   LYS+ 121 - HB2   PHE   95  12.50 +/- 2.97   0.220% *  0.8709% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  13.99 +/- 0.63   0.043% *  1.4201% (0.92   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  12.25 +/- 1.94   0.083% *  0.4277% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.32 +/- 0.97   0.020% *  1.3344% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  16.38 +/- 0.98   0.015% *  0.3044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.6:
        T HB    VAL  107 - HB2   PHE   95   2.49 +/- 0.64  99.596% * 99.6841% (0.80 10.00   4.31  45.62) = 100.000%  kept
          QE    LYS+ 112 - HB2   PHE   95  11.03 +/- 2.24   0.243% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   PHE   95   8.74 +/- 0.89   0.155% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.60 +/- 0.58   0.002% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.96 +/- 1.11   0.001% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.85 +/- 0.68   0.002% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.10 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   2.32 +/- 1.39  98.298% * 97.3666% (0.92   0.75   5.50) =  99.972%  kept
          QG2   VAL   83 - QG2   THR   94   6.92 +/- 0.96   1.172% *  1.9321% (0.69   0.02   0.02) =   0.024%
          QD2   LEU   31 - QG2   THR   94   9.64 +/- 0.52   0.529% *  0.7014% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.05 A violated in 2 structures by 0.33 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   3.37 +/- 1.15 100.000% *100.0000% (0.97 10.00   0.99   1.97) = 100.000%  kept
    Distance limit 3.27 A violated in 2 structures by 0.39 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.5:
      O   HN    PHE   97 - HA    MET   96   2.25 +/- 0.06  99.994% * 99.8692% (0.88  10.0   6.07  45.52) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.33 +/- 1.31   0.004% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.08 +/- 1.53   0.002% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.5:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.52) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.96, residual support = 9.72:
        T QE    PHE   45 - HB2   MET   96   3.59 +/- 0.38  99.352% * 98.2841% (0.49 10.00   1.96   9.72) =  99.997%  kept
        T HZ    PHE   72 - HB2   MET   96  11.44 +/- 1.38   0.136% *  1.5744% (0.76 10.00   0.02   0.02) =   0.002%
          QD    PHE   72 - HB2   MET   96   9.06 +/- 0.76   0.512% *  0.1415% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.5:
          HN    PHE   97 - HB2   MET   96   3.96 +/- 0.23  99.901% * 99.4519% (0.92   6.07  45.52) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.69 +/- 0.95   0.042% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  14.07 +/- 0.98   0.057% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.74 +/- 1.74   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.06, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.84 +/- 0.17 100.000% *100.0000% (0.65  10.0   4.06 115.52) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.644, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.11 +/- 1.63  21.432% * 81.6578% (0.99   0.02   0.02) =  54.841%  kept
          QD    PHE   72 - HB3   MET   96   9.64 +/- 1.01  78.568% * 18.3422% (0.22   0.02   0.02) =  45.159%  kept
    Distance limit 3.58 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.5:
      O   HN    MET   96 - HB3   MET   96   2.55 +/- 0.23 100.000% *100.0000% (0.65  10.0   3.97 115.52) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   3.27 +/- 0.69  98.340% * 94.5898% (0.73   2.00  16.41) =  99.984%  kept
          QG1   VAL   41 - HB2   MET   96   7.99 +/- 0.62   0.885% *  0.6853% (0.53   0.02   0.02) =   0.007%
          QD2   LEU  104 - HB2   MET   96   8.83 +/- 0.84   0.460% *  1.0431% (0.80   0.02   0.02) =   0.005%
          QG2   THR   46 - HB2   MET   96  10.68 +/- 0.87   0.136% *  1.2768% (0.98   0.02   0.02) =   0.002%
          QG2   VAL   18 - HB2   MET   96  11.03 +/- 0.77   0.109% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.03 +/- 0.89   0.071% *  1.2025% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.779, support = 0.02, residual support = 1.37:
          QD1   ILE   89 - HB2   MET   96   5.67 +/- 1.17  67.954% * 27.1168% (0.69   0.02   2.22) =  61.209%  kept
          QD2   LEU   31 - HB2   MET   96   7.32 +/- 0.85  18.873% * 36.4416% (0.92   0.02   0.02) =  22.845%  kept
          QG2   VAL   83 - HB2   MET   96   7.80 +/- 1.75  13.173% * 36.4416% (0.92   0.02   0.02) =  15.946%  kept
    Distance limit 3.83 A violated in 14 structures by 1.43 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.22:
        T QD1   ILE   89 - HB3   MET   96   4.79 +/- 1.46  90.554% * 99.8407% (0.69 10.00   0.75   2.22) =  99.983%  kept
          QG2   VAL   83 - HB3   MET   96   7.62 +/- 1.80   9.446% *  0.1593% (0.41  1.00   0.02   0.02) =   0.017%
    Distance limit 3.82 A violated in 8 structures by 1.03 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.5:
          HN    PHE   97 - HG2   MET   96   3.45 +/- 0.54  99.727% * 99.1286% (0.92   5.60  45.52) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  12.19 +/- 2.44   0.212% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  15.01 +/- 1.64   0.025% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.61 +/- 1.27   0.028% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  19.00 +/- 2.80   0.008% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  29.30 +/- 1.74   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.62 +/- 2.13   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.45 +/- 2.60   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.02, residual support = 45.5:
          HN    PHE   97 - HG3   MET   96   3.13 +/- 0.58  99.977% * 99.5670% (0.54   6.02  45.52) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.56 +/- 1.40   0.017% *  0.3306% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.17 +/- 1.74   0.007% *  0.1025% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.366, support = 2.36, residual support = 8.13:
          HG13  ILE  103 - HG2   MET   96   3.69 +/- 2.61  85.314% * 37.6490% (0.25   2.62   9.31) =  84.256%  kept
          QG2   THR   94 - HG2   MET   96   5.66 +/- 0.77  10.374% * 57.7433% (0.99   1.01   1.84) =  15.714%  kept
          HD2   LYS+ 112 - HB2   PRO   52  11.33 +/- 3.47   2.781% *  0.2942% (0.25   0.02   0.02) =   0.021%
          HB3   LYS+ 112 - HB2   PRO   52  12.06 +/- 2.89   0.451% *  0.3325% (0.29   0.02   0.02) =   0.004%
          QG2   THR   94 - HB2   PRO   52  10.75 +/- 2.36   0.180% *  0.3362% (0.29   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  13.38 +/- 1.60   0.057% *  0.9246% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52  10.86 +/- 4.31   0.818% *  0.0523% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  19.15 +/- 2.06   0.003% *  1.1318% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.99 +/- 1.99   0.003% *  1.0016% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.49 +/- 2.26   0.017% *  0.1782% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.44 +/- 3.10   0.001% *  0.2716% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.66 +/- 3.19   0.001% *  0.0846% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.759, support = 2.66, residual support = 9.23:
          QG2   ILE  103 - HG2   MET   96   4.24 +/- 1.66  26.329% * 64.0784% (1.00   3.10   9.31) =  52.607%  kept
          QD1   ILE  103 - HG2   MET   96   3.67 +/- 2.36  67.518% * 22.1073% (0.49   2.19   9.31) =  46.543%  kept
          QD2   LEU   40 - HG2   MET   96   7.22 +/- 0.72   2.261% * 11.7804% (0.95   0.60   0.02) =   0.830%  kept
          HB    VAL   75 - HG2   MET   96   9.45 +/- 1.14   3.249% *  0.1553% (0.38   0.02   0.02) =   0.016%
          QD2   LEU   71 - HG2   MET   96  12.68 +/- 1.77   0.190% *  0.2510% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG2   MET   96  12.41 +/- 1.68   0.097% *  0.3994% (0.97   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG2   MET   96  14.30 +/- 0.72   0.062% *  0.4102% (0.99   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG2   MET   96  14.00 +/- 2.89   0.077% *  0.1277% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  15.09 +/- 2.50   0.046% *  0.1205% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.79 +/- 2.97   0.068% *  0.0456% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.26 +/- 2.19   0.055% *  0.0375% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.60 +/- 2.01   0.014% *  0.1173% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.59 +/- 1.95   0.013% *  0.1150% (0.28   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  18.25 +/- 2.47   0.010% *  0.1213% (0.29   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.10 +/- 1.92   0.006% *  0.0737% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  18.57 +/- 2.81   0.007% *  0.0592% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.22 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.266, support = 0.393, residual support = 0.573:
          HG    LEU   98 - HG3   MET   96   5.15 +/- 2.08  36.860% * 10.2115% (0.25   0.24   0.34) =  51.930%  kept
          QB    LEU   98 - HG3   MET   96   5.54 +/- 0.89  12.564% * 18.6938% (0.14   0.80   0.34) =  32.404%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.69 +/- 1.86  49.159% *  2.0899% (0.61   0.02   1.97) =  14.174%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.09 +/- 1.36   0.164% * 55.1529% (0.59   0.55   0.30) =   1.248%  kept
          HB    VAL   42 - HG3   MET   96   9.03 +/- 0.62   0.424% *  1.8785% (0.54   0.02   0.02) =   0.110%
          HB3   LEU   73 - HG3   MET   96  10.50 +/- 1.54   0.251% *  1.9814% (0.57   0.02   0.02) =   0.069%
          QB    ALA   84 - HG3   MET   96  10.73 +/- 1.52   0.224% *  1.1020% (0.32   0.02   0.02) =   0.034%
          HB3   ASP-  44 - HG3   MET   96   9.80 +/- 0.60   0.266% *  0.4145% (0.12   0.02   0.02) =   0.015%
          HB3   PRO   93 - HG3   MET   96  12.86 +/- 0.76   0.055% *  1.1859% (0.34   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HG3   MET   96  18.68 +/- 2.01   0.010% *  2.0760% (0.60   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HG3   MET   96  16.63 +/- 1.25   0.012% *  1.7495% (0.51   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HG3   MET   96  20.02 +/- 1.25   0.004% *  1.8785% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  19.01 +/- 3.11   0.006% *  0.6465% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.80 +/- 1.40   0.001% *  0.9391% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 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 = 0.221, support = 2.17, residual support = 8.15:
          HG13  ILE  103 - HG3   MET   96   3.45 +/- 2.35  90.307% * 32.5164% (0.15  1.00   2.38   9.31) =  84.497%  kept
          QG2   THR   94 - HG3   MET   96   5.39 +/- 0.60   9.642% * 55.8731% (0.60  1.00   1.03   1.84) =  15.501%  kept
          HB3   LEU   71 - HG3   MET   96  13.77 +/- 1.45   0.032% *  0.8763% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  19.57 +/- 1.84   0.003% *  9.4927% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.69 +/- 2.10   0.004% *  1.0727% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.03 +/- 2.34   0.013% *  0.1689% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.499, support = 2.53, residual support = 9.23:
          QG2   ILE  103 - HG3   MET   96   3.93 +/- 1.52  38.546% * 64.5164% (0.61   2.81   9.31) =  65.073%  kept
          QD1   ILE  103 - HG3   MET   96   3.66 +/- 2.04  56.470% * 23.0379% (0.30   2.06   9.31) =  34.041%  kept
          QD2   LEU   40 - HG3   MET   96   7.36 +/- 0.63   3.057% * 10.9505% (0.57   0.50   0.02) =   0.876%  kept
          HB    VAL   75 - HG3   MET   96   9.72 +/- 0.98   1.542% *  0.1728% (0.23   0.02   0.02) =   0.007%
          QD1   LEU   67 - HG3   MET   96  12.34 +/- 1.54   0.108% *  0.4444% (0.59   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  13.01 +/- 1.68   0.099% *  0.2793% (0.37   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG3   MET   96  14.51 +/- 0.64   0.050% *  0.4565% (0.60   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG3   MET   96  13.74 +/- 2.69   0.129% *  0.1421% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 11.0:
      O   HN    LEU   98 - HA    PHE   97   2.21 +/- 0.04 100.000% *100.0000% (0.80  10.0   3.47  11.02) = 100.000%  kept
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.73, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.988% * 99.8692% (0.90  10.0   4.73  62.58) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  14.25 +/- 1.45   0.009% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.29 +/- 1.59   0.003% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.53 +/- 0.13  99.973% * 99.9164% (0.45  10.0 10.00   2.44  62.58) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.59 +/- 4.16   0.027% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.16, residual support = 55.8:
          HN    ASP- 105 - HB2   PHE   97   2.30 +/- 0.62  99.996% * 99.8893% (0.95   7.16  55.82) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  15.78 +/- 1.72   0.004% *  0.1107% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.06 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.84, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.48 +/- 0.44  99.992% * 99.8692% (0.90  10.0   4.84  62.58) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  13.11 +/- 1.97   0.006% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.98 +/- 1.77   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.98, support = 3.48, residual support = 53.1:
        T HB3   ASP- 105 - HB2   PHE   97   3.60 +/- 0.85  75.284% * 73.5941% (0.99 10.00   3.64  55.82) =  94.126%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.25 +/- 0.88  13.352% * 25.8625% (0.80 10.00   0.87   8.73) =   5.867%  kept
          HB    ILE  103 - HB2   PHE   97   6.66 +/- 0.91   4.674% *  0.0743% (1.00  1.00   0.02   1.52) =   0.006%
          HG12  ILE  103 - HB2   PHE   97   6.08 +/- 1.07   6.580% *  0.0147% (0.20  1.00   0.02   1.52) =   0.002%
          HG3   PRO   68 - HB2   PHE   97  14.19 +/- 2.70   0.025% *  0.0741% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.51 +/- 0.89   0.013% *  0.0702% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  15.15 +/- 4.37   0.029% *  0.0305% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.78 +/- 1.24   0.020% *  0.0185% (0.25  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  16.00 +/- 1.92   0.011% *  0.0279% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.43 +/- 1.11   0.004% *  0.0666% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.96 +/- 0.82   0.003% *  0.0620% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.92 +/- 1.79   0.002% *  0.0741% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.64 +/- 1.93   0.002% *  0.0305% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.307, support = 4.53, residual support = 16.1:
        T HB2   LEU  104 - HB2   PHE   97   3.39 +/- 0.56  55.091% * 82.4881% (0.31 10.00   4.70  17.29) =  92.153%  kept
          QG2   ILE  103 - HB2   PHE   97   3.96 +/- 0.74  28.241% *  9.7706% (0.25  1.00   2.93   1.52) =   5.596%  kept
          QD2   LEU   40 - HB2   PHE   97   4.59 +/- 0.94  15.541% *  7.1355% (0.38  1.00   1.42   1.45) =   2.249%  kept
          QD1   ILE  119 - HB2   PHE   97  10.45 +/- 3.49   0.586% *  0.1621% (0.61  1.00   0.02   0.80) =   0.002%
          QG2   VAL  108 - HB2   PHE   97   8.27 +/- 0.42   0.323% *  0.0529% (0.20  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PHE   97   9.68 +/- 1.77   0.186% *  0.0912% (0.34  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  12.86 +/- 1.06   0.024% *  0.2528% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  15.79 +/- 1.24   0.007% *  0.0468% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 1.58, residual support = 4.88:
        T QD2   LEU   40 - HB3   PHE   97   3.73 +/- 1.29  39.397% * 73.5918% (0.36 10.00   1.09   1.45) =  75.636%  kept
          HB2   LEU  104 - HB3   PHE   97   3.42 +/- 1.13  45.293% * 18.2759% (0.29  1.00   3.29  17.29) =  21.595%  kept
          QG2   ILE  103 - HB3   PHE   97   4.69 +/- 0.99  14.489% *  7.3155% (0.24  1.00   1.63   1.52) =   2.765%  kept
          QD1   ILE  119 - HB3   PHE   97  10.38 +/- 3.39   0.465% *  0.2186% (0.57  1.00   0.02   0.80) =   0.003%
          QD1   LEU   67 - HB3   PHE   97   8.93 +/- 1.74   0.191% *  0.1229% (0.32  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB3   PHE   97   9.22 +/- 0.61   0.138% *  0.0713% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  12.91 +/- 1.07   0.019% *  0.3409% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  15.55 +/- 1.43   0.008% *  0.0631% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.6:
      O T QD    PHE   97 - HB3   PHE   97   2.42 +/- 0.16  99.952% * 99.8821% (0.87  10.0 10.00   2.74  62.58) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  12.05 +/- 4.41   0.048% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.87 +/- 1.66   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.14, residual support = 55.8:
          HN    ASP- 105 - HB3   PHE   97   3.14 +/- 0.60  99.987% * 99.0156% (0.46   5.14  55.82) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.40 +/- 1.89   0.010% *  0.6871% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  20.11 +/- 1.38   0.003% *  0.2973% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.19, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.26 +/- 0.40  99.960% * 99.8692% (0.85  10.0   5.19  62.58) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.62 +/- 1.51   0.029% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.52 +/- 1.55   0.011% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 2.15, residual support = 52.9:
          HB3   ASP- 105 - HB3   PHE   97   4.21 +/- 0.86  78.471% * 66.6221% (0.72  1.00   2.26  55.82) =  93.800%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.30 +/- 0.93  14.604% * 21.3639% (0.93  1.00   0.56   8.73) =   5.598%  kept
          HB    ILE  103 - HB3   PHE   97   7.27 +/- 0.97   6.426% *  5.1752% (0.65  1.00   0.19   1.52) =   0.597%  kept
          HG3   PRO   68 - HB3   PHE   97  13.22 +/- 2.83   0.164% *  0.4999% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB3   PHE   97  14.05 +/- 1.35   0.103% *  0.5611% (0.69  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB3   PHE   97  14.86 +/- 0.94   0.059% *  0.6703% (0.82  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB3   PHE   97  14.25 +/- 1.03   0.078% *  0.4066% (0.50  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB3   PHE   97  18.88 +/- 1.73   0.015% *  1.7204% (0.21 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  16.31 +/- 1.61   0.036% *  0.6703% (0.82  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.10 +/- 1.01   0.012% *  0.7133% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.26 +/- 0.99   0.009% *  0.7458% (0.91  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  18.23 +/- 1.17   0.016% *  0.2900% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.09 +/- 1.75   0.007% *  0.5611% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.297, support = 4.38, residual support = 28.2:
          HG12  ILE  103 - HA    LEU   98   3.93 +/- 1.57  76.066% * 52.4910% (0.25   4.82  30.45) =  88.496%  kept
          HB    VAL   41 - HA    LEU   98   6.18 +/- 1.51  11.147% * 24.3019% (0.38   1.48  18.27) =   6.004%  kept
          QB    LYS+ 102 - HA    LEU   98   5.15 +/- 0.41  12.582% * 19.7077% (0.98   0.46   2.86) =   5.496%  kept
          HB2   LEU   71 - HA    LEU   98  10.71 +/- 1.20   0.166% *  0.8717% (1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU   98  14.86 +/- 1.25   0.022% *  0.4946% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.40 +/- 0.72   0.007% *  0.8736% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.37 +/- 0.66   0.005% *  0.7297% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  19.10 +/- 0.67   0.004% *  0.5299% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.723, support = 2.94, residual support = 30.2:
          HA    ILE  103 - HA    LEU   98   2.46 +/- 1.32  94.875% * 82.1869% (0.73   2.96  30.45) =  99.188%  kept
          HA    LEU  104 - HA    LEU   98   5.51 +/- 0.72   4.951% * 12.8796% (0.28   1.21   6.13) =   0.811%  kept
          HA    ASP-  44 - HA    LEU   98  11.14 +/- 0.44   0.049% *  0.6865% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98   9.99 +/- 0.87   0.094% *  0.2128% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  16.07 +/- 3.12   0.020% *  0.5559% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  18.12 +/- 1.81   0.005% *  0.6394% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.26 +/- 2.13   0.003% *  0.6394% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.90 +/- 1.21   0.002% *  0.4952% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.02 +/- 2.03   0.002% *  0.2611% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.44 +/- 1.43   0.000% *  0.5850% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.49 +/- 2.42   0.000% *  0.7066% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.62 +/- 1.39   0.000% *  0.1515% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.584:
          HN    ASP- 105 - HA    LEU   98   5.35 +/- 0.78  99.752% * 71.5947% (0.95   0.02   0.58) =  99.902%  kept
          HN    ALA   88 - HA    LEU   98  15.75 +/- 1.85   0.248% * 28.4053% (0.38   0.02   0.02) =   0.098%
    Distance limit 3.86 A violated in 17 structures by 1.49 A, eliminated.
    Peak unassigned.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.42, residual support = 19.1:
      O   HN    LYS+  99 - HA    LEU   98   2.27 +/- 0.09  99.884% * 99.7964% (0.80  10.0   4.42  19.05) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  12.64 +/- 7.07   0.106% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.41 +/- 1.47   0.010% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.75 +/- 1.51   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.65, residual support = 6.13:
          HN    LEU  104 - HA    LEU   98   3.60 +/- 1.28  99.465% * 99.5060% (0.92   2.65   6.13) =  99.997%  kept
          HN    PHE   72 - HA    LEU   98  12.05 +/- 0.69   0.535% *  0.4940% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.34 A violated in 3 structures by 0.53 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 83.1:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.21  83.10) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.446, support = 3.11, residual support = 20.4:
        T HB    VAL   41 - QB    LEU   98   3.63 +/- 1.72  52.521% * 72.2051% (0.42 10.00   2.96  18.27) =  81.721%  kept
          HG12  ILE  103 - QB    LEU   98   3.82 +/- 1.59  44.602% * 18.6603% (0.56  1.00   3.89  30.45) =  17.935%  kept
          HB    ILE  103 - QB    LEU   98   5.46 +/- 1.03   2.180% *  7.2376% (0.60  1.00   1.42  30.45) =   0.340%
        T QB    LYS+ 106 - QB    LEU   98   7.90 +/- 1.09   0.170% *  0.4578% (0.27 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - QB    LEU   98   9.75 +/- 1.39   0.063% *  0.7221% (0.42 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QB    LEU   98   8.34 +/- 1.09   0.445% *  0.0900% (0.53  1.00   0.02   0.58) =   0.001%
          HG3   PRO   68 - QB    LEU   98  13.95 +/- 1.80   0.006% *  0.1077% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.88 +/- 3.79   0.003% *  0.1330% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.63 +/- 0.90   0.006% *  0.0458% (0.27  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.53 +/- 0.77   0.002% *  0.0506% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  17.51 +/- 0.80   0.001% *  0.0610% (0.36  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.41 +/- 1.35   0.000% *  0.1330% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.06 +/- 1.51   0.000% *  0.0960% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 4.04, residual support = 19.0:
          HN    LYS+  99 - QB    LEU   98   3.11 +/- 0.23  99.367% * 97.4758% (0.27   4.04  19.05) =  99.994%  kept
          HN    ASN   35 - QB    LEU   98   8.51 +/- 1.60   0.362% *  1.3061% (0.72   0.02   0.02) =   0.005%
          HE1   HIS  122 - QB    LEU   98  12.23 +/- 6.03   0.267% *  0.3899% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  18.26 +/- 1.62   0.003% *  0.2413% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.75 +/- 1.93   0.001% *  0.5869% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.84, residual support = 18.3:
          HN    VAL   41 - QB    LEU   98   3.50 +/- 1.23 100.000% *100.0000% (0.85   2.84  18.27) = 100.000%  kept
    Distance limit 3.91 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.12, residual support = 83.1:
      O   HN    LEU   98 - QB    LEU   98   2.65 +/- 0.27 100.000% *100.0000% (0.85  10.0   5.12  83.10) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 83.1:
      O   HA    LEU   98 - HG    LEU   98   3.16 +/- 0.58 100.000% *100.0000% (0.69  10.0   4.04  83.10) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.03, residual support = 83.1:
          HN    LEU   98 - HG    LEU   98   3.49 +/- 0.52 100.000% *100.0000% (0.98   4.03  83.10) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.31, support = 3.9, residual support = 27.6:
        T HA    ILE  103 - QD1   LEU   98   2.89 +/- 0.54  94.664% * 28.7120% (0.25 10.00   4.20  30.45) =  88.246%  kept
        T HA    LEU  104 - QD1   LEU   98   6.17 +/- 0.93   5.115% * 70.7665% (0.76 10.00   1.61   6.13) =  11.753%  kept
          HA    ASP-  86 - QD1   LEU   98  11.68 +/- 3.31   0.058% *  0.1149% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   LEU   98   9.36 +/- 1.33   0.130% *  0.0473% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  13.65 +/- 2.41   0.015% *  0.0393% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  15.01 +/- 2.48   0.014% *  0.0393% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.94 +/- 1.34   0.002% *  0.1149% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.66 +/- 1.58   0.001% *  0.1141% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.34 +/- 2.50   0.000% *  0.0516% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.741, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98  10.40 +/- 1.63  51.989% * 33.8723% (0.84   0.02   0.02) =  62.018%  kept
          HE21  GLN   30 - QD1   LEU   98  10.95 +/- 1.18  37.381% * 19.7390% (0.49   0.02   0.02) =  25.986%  kept
          QD    PHE   59 - QD1   LEU   98  14.21 +/- 1.74   9.719% * 33.8723% (0.84   0.02   0.02) =  11.594%  kept
          HH2   TRP   49 - QD1   LEU   98  20.82 +/- 2.59   0.912% * 12.5164% (0.31   0.02   0.02) =   0.402%
    Distance limit 3.50 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.05, residual support = 16.5:
        T QD1   LEU  104 - HB2   LYS+  99   2.28 +/- 0.40  99.956% * 98.4796% (0.69 10.00   3.05  16.52) = 100.000%  kept
        T QD1   LEU   73 - HB2   LYS+  99  10.24 +/- 0.95   0.029% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LYS+  99  11.68 +/- 1.29   0.010% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  16.20 +/- 0.80   0.001% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  16.63 +/- 2.17   0.002% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  16.07 +/- 2.62   0.002% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  16.60 +/- 1.14   0.001% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.48, residual support = 12.2:
        T QD2   LEU   40 - HB2   LYS+  99   3.63 +/- 0.70  92.900% * 96.7104% (0.95 10.00   2.49  12.23) =  99.881%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.84 +/- 0.32   3.601% *  2.9079% (1.00  1.00   0.57   0.02) =   0.116%
          QD2   LEU   71 - HB2   LYS+  99  11.19 +/- 1.76   1.860% *  0.0620% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  99   8.04 +/- 0.45   1.258% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99  10.67 +/- 1.64   0.292% *  0.0987% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  14.30 +/- 3.71   0.066% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  16.64 +/- 1.17   0.017% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  19.50 +/- 1.01   0.005% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 3 structures by 0.24 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.84, residual support = 171.8:
      O   HN    LYS+  99 - HB2   LYS+  99   2.98 +/- 0.29  98.472% * 99.4797% (0.31  10.0   4.84 171.80) =  99.999%  kept
          HE1   HIS  122 - HB2   LYS+  99  12.06 +/- 7.29   1.489% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   LYS+  99  11.93 +/- 1.24   0.038% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.20 +/- 1.80   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.69 +/- 2.26   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 171.8:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.03  99.509% * 99.7964% (0.80  10.0   5.25 171.80) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  12.86 +/- 7.16   0.360% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   9.45 +/- 1.31   0.130% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.36 +/- 1.54   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.6:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.05 100.000% *100.0000% (0.84  10.0   6.83  39.65) = 100.000%  kept
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.756, support = 5.01, residual support = 186.7:
      O   QE    LYS+  99 - HG2   LYS+  99   2.77 +/- 0.56  35.508% * 79.1619% (0.99  10.0   5.21 171.80) =  68.002%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.38 +/- 0.47  64.236% * 20.5905% (0.26  10.0   4.58 218.26) =  31.998%  kept
          QE    LYS+  38 - HG2   LYS+  99   8.20 +/- 1.45   0.081% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   8.47 +/- 1.70   0.075% *  0.0610% (0.76   1.0   0.02   1.96) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.78 +/- 1.39   0.050% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.12 +/- 0.67   0.022% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  11.45 +/- 2.69   0.027% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  18.22 +/- 1.15   0.000% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.78 +/- 1.00   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  18.57 +/- 0.68   0.000% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 171.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.84 +/- 0.41  76.815% * 98.9579% (0.84  10.0 10.00   7.06 171.80) =  99.986%  kept
          HA    LEU   40 - HG2   LYS+  99   4.59 +/- 1.53   8.812% *  0.0671% (0.57   1.0  1.00   0.02  12.23) =   0.008%
          HA    ASN   35 - HG2   LYS+  38   4.33 +/- 1.23  13.824% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  99 - HG2   LYS+  38   8.63 +/- 1.12   0.154% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG2   LYS+  99   9.25 +/- 1.56   0.114% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.12 +/- 0.60   0.258% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  17.94 +/- 6.66   0.005% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.13 +/- 1.49   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.60 +/- 2.48   0.007% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  19.02 +/- 3.65   0.006% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  23.70 +/- 6.97   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.53 +/- 2.04   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.63 +/- 1.86   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.72 +/- 1.89   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.78 +/- 1.38   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  29.84 +/- 1.62   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  28.09 +/- 1.65   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.52 +/- 2.21   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0941, support = 5.02, residual support = 12.1:
          HA    SER   37 - HA    LYS+  38   5.21 +/- 0.02  38.730% * 43.3575% (0.05  1.00   5.53  13.39) =  90.496%  kept
          HA    LEU   40 - HA    GLU- 100   5.54 +/- 1.58  43.434% *  2.7177% (0.80  1.00   0.02   0.02) =   6.361%  kept
          HA    LEU   40 - HA    LYS+  38   6.13 +/- 0.07  14.778% *  3.5417% (0.05  1.00   0.43   0.02) =   2.821%  kept
          HA    SER   37 - HA    GLU- 100   9.15 +/- 2.12   2.044% *  2.5937% (0.76  1.00   0.02   0.02) =   0.286%
          HA    VAL   42 - HA    GLU- 100  10.79 +/- 1.07   0.475% *  0.7556% (0.22  1.00   0.02   0.02) =   0.019%
          HA    GLU-  15 - HA    GLU- 100  17.45 +/- 1.87   0.030% *  3.2105% (0.95  1.00   0.02   0.02) =   0.005%
        T HA    PRO   58 - HA    GLU- 100  26.03 +/- 1.46   0.002% * 31.3300% (0.92 10.00   0.02   0.02) =   0.004%
          HA    GLN   17 - HA    GLU- 100  19.54 +/- 1.31   0.013% *  2.5937% (0.76  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HA    GLU- 100  21.41 +/- 2.24   0.009% *  3.2105% (0.95  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HA    LYS+  38  15.35 +/- 1.70   0.086% *  0.1940% (0.06  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  11.92 +/- 0.36   0.269% *  0.0457% (0.01  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.64 +/- 0.85   0.004% *  2.8349% (0.84  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  21.72 +/- 6.37   0.018% *  0.6717% (0.20  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  18.41 +/- 2.98   0.051% *  0.1940% (0.06  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  26.24 +/- 1.11   0.003% *  1.8931% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  18.41 +/- 0.89   0.022% *  0.1567% (0.05  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  22.39 +/- 6.56   0.024% *  0.0406% (0.01  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.96 +/- 1.94   0.002% *  0.4593% (0.14  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.57 +/- 0.47   0.003% *  0.1713% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  27.87 +/- 1.62   0.002% *  0.0278% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 8 structures by 0.87 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   2.97 +/- 0.33  97.928% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.40 +/- 1.74   2.072% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.24 +/- 0.10  98.025% * 99.9940% (0.84  10.0   6.39  75.71) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   5.15 +/- 1.70   1.975% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.754, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  13.09 +/- 1.96  10.348% * 28.3278% (1.00 10.00   0.02   0.02) =  46.163%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.18 +/- 2.17  20.433% *  8.7627% (0.31 10.00   0.02   0.02) =  28.198%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.64 +/- 2.08   2.531% * 27.8286% (0.98 10.00   0.02   0.02) =  11.093%  kept
          HA    VAL   70 - HB2   GLU- 100  11.69 +/- 1.45  23.529% *  2.3714% (0.84  1.00   0.02   0.02) =   8.787%  kept
          HB2   SER   37 - HB2   GLU- 100  10.59 +/- 1.89  40.637% *  0.5618% (0.20  1.00   0.02   0.02) =   3.596%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.86 +/- 3.09   0.374% * 23.7140% (0.84 10.00   0.02   0.02) =   1.396%  kept
          HA    VAL   18 - HB2   GLU- 100  18.60 +/- 0.91   1.386% *  2.7399% (0.97  1.00   0.02   0.02) =   0.598%  kept
          HB2   SER   82 - HB2   GLU- 100  26.13 +/- 2.40   0.192% *  2.6208% (0.92  1.00   0.02   0.02) =   0.079%
          HA    ALA   88 - HB2   GLU- 100  23.75 +/- 1.58   0.412% *  0.9684% (0.34  1.00   0.02   0.02) =   0.063%
          HA    SER   48 - HB2   GLU- 100  30.34 +/- 0.87   0.084% *  1.6074% (0.57  1.00   0.02   0.02) =   0.021%
          HD2   PRO   52 - HB2   GLU- 100  31.26 +/- 1.31   0.076% *  0.4972% (0.18  1.00   0.02   0.02) =   0.006%
    Distance limit 3.33 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 5.27, residual support = 39.5:
          HG2   LYS+  99 - HG2   GLU- 100   4.24 +/- 1.08  55.810% * 97.4997% (0.45   5.29  39.65) =  99.623%  kept
          HG2   LYS+  38 - HG2   GLU- 100   5.11 +/- 2.40  44.129% *  0.4658% (0.57   0.02   0.02) =   0.376%
          HB2   LEU   31 - HG2   GLU- 100  12.42 +/- 1.61   0.054% *  0.1441% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  20.42 +/- 1.56   0.002% *  0.7379% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  20.87 +/- 1.29   0.002% *  0.8065% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  21.41 +/- 1.21   0.002% *  0.1628% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  28.11 +/- 2.77   0.000% *  0.1832% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 8 structures by 0.99 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 4.08, residual support = 39.6:
          HG2   LYS+  99 - HG3   GLU- 100   3.18 +/- 1.55  76.732% * 96.7901% (0.45   4.09  39.65) =  99.813%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.89 +/- 2.25  23.229% *  0.5980% (0.57   0.02   0.02) =   0.187%
          HB2   LEU   31 - HG3   GLU- 100  12.09 +/- 1.68   0.036% *  0.1850% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.04 +/- 1.28   0.001% *  1.0354% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  19.53 +/- 1.52   0.001% *  0.9473% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.03 +/- 1.21   0.001% *  0.2090% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.90 +/- 2.82   0.000% *  0.2352% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 4 structures by 0.60 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   2.80 +/- 0.42  89.689% * 99.7364% (1.00  10.0   4.46  75.71) =  99.998%  kept
          HA    LYS+  38 - HG3   GLU- 100   5.02 +/- 2.22  10.310% *  0.0198% (0.20   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   GLU- 100  21.62 +/- 2.73   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.75 +/- 1.31   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.63 +/- 1.25   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   2.88 +/- 0.63 100.000% *100.0000% (0.97   4.30  75.71) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.48, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.62 +/- 0.66 100.000% *100.0000% (0.84   6.48  75.71) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 159.9:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.57 +/- 0.10  99.226% * 99.6342% (1.00  10.0   4.65 159.91) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   8.13 +/- 2.13   0.294% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   7.07 +/- 0.73   0.291% *  0.0272% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.89 +/- 2.07   0.114% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.11 +/- 0.64   0.055% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  12.97 +/- 2.04   0.011% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  15.23 +/- 2.72   0.004% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.52 +/- 1.90   0.006% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.03 +/- 0.43  99.815% * 98.9475% (1.00   5.46  22.38) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   9.61 +/- 1.45   0.170% *  0.1628% (0.45   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  18.68 +/- 1.75   0.002% *  0.3427% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  18.05 +/- 0.66   0.003% *  0.1906% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  18.11 +/- 1.04   0.003% *  0.1540% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  19.01 +/- 1.17   0.002% *  0.0856% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.69 +/- 1.32   0.003% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.10 +/- 1.98   0.001% *  0.0806% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.41, residual support = 159.9:
          HN    LYS+ 102 - HG2   LYS+ 102   3.64 +/- 0.54  95.516% * 99.2113% (0.73   4.42 159.91) =  99.994%  kept
          HN    THR   39 - HG2   LYS+ 102  12.26 +/- 2.85   3.637% *  0.1084% (0.18   0.02   0.02) =   0.004%
          HN    ASP- 105 - HG2   LYS+ 102   9.94 +/- 1.31   0.769% *  0.2323% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HG2   LYS+ 102  14.16 +/- 2.66   0.060% *  0.3256% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  17.81 +/- 3.24   0.017% *  0.1225% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 0.0199, residual support = 0.0199:
        T QB    SER   85 - HA    ILE  103  17.23 +/- 2.39   5.052% * 19.9520% (0.90 10.00   0.02   0.02) =  30.614%  kept
        T QB    SER  117 - HA    ILE  103  14.57 +/- 2.14  12.817% *  7.5887% (0.34 10.00   0.02   0.02) =  29.544%  kept
          HB    THR   94 - HA    ILE  103  13.42 +/- 1.29  19.520% *  1.7002% (0.76  1.00   0.02   0.02) =  10.081%  kept
          HA    LYS+ 121 - HA    ILE  103  15.18 +/- 5.06  16.342% *  1.5282% (0.69  1.00   0.02   0.02) =   7.585%  kept
        T QB    SER   48 - HA    ILE  103  22.33 +/- 1.70   0.916% * 19.2979% (0.87 10.00   0.02   0.02) =   5.367%  kept
          HA2   GLY   16 - HA    THR   39  13.66 +/- 1.74  19.142% *  0.6592% (0.30  1.00   0.02   0.02) =   3.833%  kept
          HA    ALA  120 - HA    ILE  103  17.73 +/- 4.04   4.683% *  2.2050% (0.99  1.00   0.02   0.02) =   3.137%  kept
          HA    LYS+  65 - HA    THR   39  15.80 +/- 1.24   6.528% *  0.6139% (0.28  1.00   0.02   0.02) =   1.217%  kept
        T QB    SER  117 - HA    THR   39  20.40 +/- 2.47   1.558% *  2.5072% (0.11 10.00   0.02   0.02) =   1.187%  kept
        T QB    SER   85 - HA    THR   39  23.64 +/- 0.65   0.577% *  6.5917% (0.30 10.00   0.02   0.02) =   1.155%  kept
        T HA2   GLY   51 - HA    ILE  103  26.85 +/- 1.66   0.281% * 13.4936% (0.61 10.00   0.02   0.02) =   1.153%  kept
          HA    LYS+  65 - HA    ILE  103  19.61 +/- 0.99   1.825% *  1.8582% (0.84  1.00   0.02   0.02) =   1.030%  kept
          HA2   GLY   16 - HA    ILE  103  20.23 +/- 1.20   1.507% *  1.9952% (0.90  1.00   0.02   0.02) =   0.913%  kept
        T HD2   PRO   52 - HA    ILE  103  24.15 +/- 1.56   0.533% *  5.5474% (0.25 10.00   0.02   0.02) =   0.899%  kept
          HA    LYS+ 121 - HA    THR   39  18.95 +/- 5.73   4.204% *  0.5049% (0.23  1.00   0.02   0.02) =   0.645%  kept
          HA    ALA  120 - HA    THR   39  20.23 +/- 5.24   2.722% *  0.7285% (0.33  1.00   0.02   0.02) =   0.602%  kept
        T QB    SER   48 - HA    THR   39  26.29 +/- 0.86   0.311% *  6.3756% (0.29 10.00   0.02   0.02) =   0.602%  kept
          HB    THR   94 - HA    THR   39  20.81 +/- 0.35   1.226% *  0.5617% (0.25  1.00   0.02   0.02) =   0.209%
        T HA2   GLY   51 - HA    THR   39  31.35 +/- 1.64   0.107% *  4.4580% (0.20 10.00   0.02   0.02) =   0.144%
        T HD2   PRO   52 - HA    THR   39  29.53 +/- 1.30   0.149% *  1.8327% (0.08 10.00   0.02   0.02) =   0.083%
    Distance limit 3.07 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 37.3:
      O   HN    LEU  104 - HA    ILE  103   2.41 +/- 0.31  99.959% * 99.8797% (0.92  10.0   5.98  37.29) = 100.000%  kept
          HN    PHE   72 - HA    THR   39  10.01 +/- 0.67   0.029% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.25 +/- 1.05   0.008% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  13.84 +/- 0.73   0.004% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.74, residual support = 38.1:
      O   HN    THR   39 - HA    THR   39   2.89 +/- 0.02  95.769% * 73.0479% (0.33  10.0   3.75  38.36) =  98.574%  kept
          HN    LYS+ 102 - HA    ILE  103   4.94 +/- 0.18   3.907% * 25.8904% (0.65   1.0   3.59  22.38) =   1.425%  kept
          HN    GLU-  36 - HA    THR   39   8.36 +/- 0.18   0.164% *  0.0616% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.71 +/- 1.55   0.112% *  0.0477% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.56 +/- 1.21   0.017% *  0.2211% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  13.41 +/- 2.79   0.016% *  0.2226% (1.00   1.0   0.02   0.11) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.15 +/- 1.35   0.005% *  0.1863% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.50 +/- 1.23   0.002% *  0.1086% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.68 +/- 1.66   0.002% *  0.0441% (0.20   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.77 +/- 0.53   0.002% *  0.0359% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.62 +/- 1.66   0.001% *  0.0735% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.96 +/- 1.12   0.001% *  0.0344% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.76 +/- 1.15   0.001% *  0.0114% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.89 +/- 0.75   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.2, residual support = 30.4:
        T QD1   LEU   98 - HA    ILE  103   2.89 +/- 0.54  99.360% * 99.6453% (0.41 10.00   4.20  30.45) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39   9.37 +/- 1.49   0.582% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  11.76 +/- 0.92   0.047% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.43 +/- 1.13   0.010% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.395, support = 2.25, residual support = 3.71:
          HN    ASP- 105 - QG2   ILE  103   3.23 +/- 0.41  97.771% * 25.4503% (0.38   2.19   2.59) =  94.313%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.38 +/- 0.20   2.027% * 73.9927% (0.73   3.29  22.38) =   5.686%  kept
          HD1   TRP   87 - QG2   ILE  103  10.69 +/- 2.48   0.145% *  0.1226% (0.20   0.02   0.11) =   0.001%
          HN    THR   39 - QG2   ILE  103  13.00 +/- 1.23   0.042% *  0.1085% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE  103  15.16 +/- 1.23   0.014% *  0.3259% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.63, residual support = 37.3:
          HN    LEU  104 - QG2   ILE  103   2.36 +/- 0.50  99.993% * 99.9411% (0.90   6.63  37.29) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.04 +/- 0.81   0.007% *  0.0589% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 138.3:
      O   HN    ILE  103 - HB    ILE  103   2.11 +/- 0.08  99.999% * 99.8308% (1.00  10.0   6.72 138.30) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  16.44 +/- 2.43   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.89 +/- 1.41   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.41 +/- 2.40   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.3:
      O T HA    ILE  103 - HG12  ILE  103   2.37 +/- 0.27  99.705% * 97.9216% (0.20  10.0 10.00   5.98 138.30) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.42 +/- 0.21   0.276% *  0.3001% (0.61   1.0  1.00   0.02  37.29) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  14.11 +/- 4.20   0.005% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.28 +/- 2.01   0.011% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.06 +/- 3.18   0.002% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  16.23 +/- 3.27   0.002% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.29 +/- 1.29   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.95 +/- 1.61   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  30.98 +/- 2.62   0.000% *  0.1761% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.3:
          HN    ILE  103 - HG12  ILE  103   3.09 +/- 0.30  99.980% * 99.5123% (0.80   6.92 138.30) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  15.68 +/- 2.42   0.010% *  0.2722% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  15.77 +/- 1.79   0.008% *  0.1514% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.99 +/- 2.52   0.003% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.3:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.991% * 99.2748% (0.58  10.0 10.00   4.31 138.30) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   9.02 +/- 1.55   0.007% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.92 +/- 1.64   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.31 +/- 0.94   0.002% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.84 +/- 2.17   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.95 +/- 1.89   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.466, support = 4.75, residual support = 138.3:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.02  89.820% * 32.5765% (0.39  10.0 10.00   4.62 138.30) =  81.345%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.12 +/- 0.16  10.049% * 66.7776% (0.80  10.0 10.00   5.31 138.30) =  18.655%  kept
          QD2   LEU   40 - HG12  ILE  103   6.71 +/- 0.66   0.119% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.14 +/- 1.61   0.004% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  12.91 +/- 1.39   0.002% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.90 +/- 2.27   0.003% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.27 +/- 3.60   0.002% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.61 +/- 1.98   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.77, residual support = 30.4:
          QD1   LEU   98 - HG12  ILE  103   2.67 +/- 1.04  99.984% * 99.7507% (0.72   5.77  30.45) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.21 +/- 1.50   0.016% *  0.2493% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 4.05, residual support = 138.3:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.02  62.613% * 82.5087% (0.84  10.0   3.97 138.30) =  88.875%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.35 +/- 0.13  37.382% * 17.2996% (0.18  10.0   4.67 138.30) =  11.125%  kept
          QD2   LEU   71 - HG13  ILE  103  13.31 +/- 1.73   0.002% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  14.47 +/- 3.47   0.002% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.00 +/- 1.86   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.45, residual support = 30.4:
          QD1   LEU   98 - HG13  ILE  103   3.32 +/- 1.08  99.946% * 99.4153% (0.90   2.45  30.45) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.24 +/- 1.39   0.054% *  0.5847% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 5 structures by 0.39 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.571, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.51 +/- 2.19  54.649% * 17.5479% (0.45   0.02   0.02) =  46.204%  kept
          HE21  GLN   30 - QD1   ILE  103  13.30 +/- 1.95  21.902% * 30.1124% (0.77   0.02   0.02) =  31.775%  kept
          QD    PHE   59 - QD1   ILE  103  13.94 +/- 2.04  20.806% * 17.5479% (0.45   0.02   0.02) =  17.590%  kept
          HH2   TRP   49 - QD1   ILE  103  19.41 +/- 2.49   2.643% * 34.7918% (0.89   0.02   0.02) =   4.431%  kept
    Distance limit 3.94 A violated in 20 structures by 6.20 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.533, support = 0.148, residual support = 0.109:
          HE3   TRP   87 - QD1   ILE  103   6.23 +/- 4.54  83.735% * 26.4404% (0.52   0.14   0.11) =  89.312%  kept
          HN    TRP   87 - QD1   ILE  103   9.45 +/- 3.33   3.752% * 59.9115% (0.67   0.25   0.11) =   9.068%  kept
          HD21  ASN   69 - QD1   ILE  103  16.06 +/- 1.77   4.534% *  4.5620% (0.63   0.02   0.02) =   0.834%  kept
          HN    GLN   17 - QD1   ILE  103  17.26 +/- 0.97   1.566% *  5.7609% (0.80   0.02   0.02) =   0.364%
          HN    ALA   91 - QD1   ILE  103  12.78 +/- 1.93   3.746% *  1.4786% (0.21   0.02   0.02) =   0.223%
          HN    ALA   61 - QD1   ILE  103  16.61 +/- 1.48   2.666% *  1.8466% (0.26   0.02   0.02) =   0.199%
    Distance limit 3.60 A violated in 11 structures by 2.17 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.67, residual support = 138.3:
          HN    ILE  103 - QD1   ILE  103   3.29 +/- 0.66  99.813% * 99.4053% (0.92   5.67 138.30) = 100.000%  kept
          HN    GLN   90 - QD1   ILE  103  12.03 +/- 2.14   0.092% *  0.3320% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  12.37 +/- 1.67   0.077% *  0.1846% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  15.10 +/- 2.38   0.019% *  0.0781% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.3:
      O   HA    ILE  103 - HG13  ILE  103   2.71 +/- 0.39  99.042% * 99.0827% (0.73  10.0   5.40 138.30) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.15 +/- 0.41   0.848% *  0.0379% (0.28   1.0   0.02  37.29) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.33 +/- 1.85   0.070% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  13.81 +/- 3.95   0.020% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  15.56 +/- 3.16   0.008% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.24 +/- 2.97   0.003% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.72 +/- 1.16   0.007% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.83 +/- 2.60   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.41 +/- 1.37   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.31 +/- 1.56   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.90 +/- 2.12   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.45 +/- 2.68   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 138.3:
          HN    ILE  103 - HG13  ILE  103   4.09 +/- 0.15  99.839% * 99.4577% (1.00   6.22 138.30) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  14.55 +/- 2.32   0.075% *  0.3027% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  14.32 +/- 1.83   0.073% *  0.1684% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  18.68 +/- 2.32   0.014% *  0.0712% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.29, residual support = 138.3:
          HN    ILE  103 - QG2   ILE  103   3.50 +/- 0.13  99.848% * 99.2311% (0.69   6.29 138.30) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.63 +/- 1.04   0.087% *  0.4432% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  12.80 +/- 1.81   0.062% *  0.2235% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  20.37 +/- 1.67   0.003% *  0.1022% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.37 +/- 0.13  99.944% * 98.7652% (0.38   4.78  22.38) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  20.41 +/- 1.18   0.011% *  1.0169% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.33 +/- 1.35   0.045% *  0.2180% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.35 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.7, residual support = 17.3:
        T HB2   PHE   97 - HB2   LEU  104   3.39 +/- 0.56  92.184% * 99.7054% (0.82 10.00   4.70  17.29) =  99.996%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.59 +/- 1.41   1.859% *  0.0945% (0.78  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HB2   LEU  104   5.96 +/- 1.05   5.937% *  0.0263% (0.22  1.00   0.02  16.52) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  15.62 +/- 2.05   0.015% *  0.0765% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  17.91 +/- 0.73   0.005% *  0.0973% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.39, residual support = 40.5:
          HN    ASP- 105 - HB2   LEU  104   2.60 +/- 0.73  99.996% * 99.8760% (0.82   6.39  40.50) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  18.02 +/- 2.04   0.004% *  0.1240% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 218.4:
      O   HN    LEU  104 - HB2   LEU  104   2.77 +/- 0.43  99.990% * 99.7579% (0.36  10.0   7.39 218.35) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.58 +/- 1.29   0.010% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.89, residual support = 218.4:
      O   HN    LEU  104 - HB3   LEU  104   3.72 +/- 0.09  99.970% * 99.9343% (0.71  10.0   6.89 218.35) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.79 +/- 1.09   0.030% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.46, residual support = 218.4:
          HN    LEU  104 - HG    LEU  104   3.03 +/- 0.37  99.985% * 99.8241% (0.92   7.46 218.35) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.93 +/- 1.17   0.015% *  0.1759% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.47, residual support = 16.5:
          HN    LYS+  99 - HG    LEU  104   3.62 +/- 1.15  95.647% * 96.2507% (0.98   1.47  16.52) =  99.937%  kept
          HE1   HIS  122 - HG    LEU  104  11.72 +/- 7.20   4.282% *  1.3353% (1.00   0.02   0.02) =   0.062%
          HN    GLN   30 - HG    LEU  104  17.33 +/- 0.90   0.034% *  0.6000% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.60 +/- 2.66   0.029% *  0.5023% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  23.14 +/- 1.72   0.008% *  1.3118% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.383, support = 6.73, residual support = 207.1:
          HN    LEU  104 - QD1   LEU  104   4.03 +/- 0.45  77.484% * 77.6512% (0.40   6.89 218.35) =  93.652%  kept
          HN    PHE   72 - QD1   LEU   73   5.42 +/- 0.90  18.847% * 21.6182% (0.18   4.29  40.49) =   6.342%  kept
          HN    PHE   72 - QD1   LEU   63   8.34 +/- 1.31   2.754% *  0.1007% (0.18   0.02  17.13) =   0.004%
          HN    PHE   72 - QD1   LEU  104  11.48 +/- 1.35   0.195% *  0.5469% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63  10.13 +/- 1.18   0.411% *  0.0415% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  10.52 +/- 0.91   0.310% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.05, residual support = 16.5:
        T HB2   LYS+  99 - QD1   LEU  104   2.28 +/- 0.40  98.229% * 97.1108% (0.40 10.00   3.05  16.52) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   5.26 +/- 0.70   1.645% *  0.0229% (0.09  1.00   0.02   9.17) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.30 +/- 1.02   0.020% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  10.24 +/- 0.95   0.027% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.68 +/- 1.29   0.009% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  16.53 +/- 1.28   0.001% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.95 +/- 1.65   0.051% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  11.60 +/- 1.26   0.010% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.38 +/- 1.83   0.004% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.07 +/- 0.66   0.003% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  21.05 +/- 1.15   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.35 +/- 1.85   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.879, support = 2.1, residual support = 17.2:
          HB2   LYS+  99 - QD2   LEU  104   3.08 +/- 0.78  78.930% * 81.3227% (0.90  1.00   2.06  16.52) =  97.893%  kept
          HB3   GLN   17 - QG2   VAL   18   4.63 +/- 0.88  19.556% *  7.0273% (0.04  1.00   4.16  50.10) =   2.096%  kept
        T HB    VAL   43 - QD2   LEU  104  10.44 +/- 0.85   0.042% *  8.5077% (0.97 10.00   0.02   0.02) =   0.005%
        T HB    VAL   43 - QG1   VAL   41   7.18 +/- 0.51   0.463% *  0.4570% (0.05 10.00   0.02   1.60) =   0.003%
        T HB    VAL   43 - QG2   VAL   18   9.53 +/- 0.86   0.099% *  1.3073% (0.15 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - QG1   VAL   41   7.31 +/- 1.09   0.868% *  0.0425% (0.05  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  14.93 +/- 0.84   0.006% *  0.1215% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.24 +/- 1.17   0.005% *  0.1250% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  20.86 +/- 0.88   0.001% *  0.8138% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.35 +/- 1.21   0.001% *  0.2198% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  11.67 +/- 0.95   0.027% *  0.0118% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.08 +/- 0.61   0.002% *  0.0437% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.25, residual support = 42.1:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.838% * 98.4679% (0.72  10.0 10.00   3.25  42.13) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.21 +/- 0.24   0.152% *  0.1263% (0.93   1.0  1.00   0.02  20.53) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.69 +/- 0.56   0.008% *  0.0885% (0.65   1.0  1.00   0.02   2.59) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.13 +/- 2.85   0.001% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.93 +/- 1.14   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.45 +/- 1.63   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  18.40 +/- 1.86   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.75 +/- 1.42   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.57 +/- 1.56   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  17.96 +/- 1.52   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.36 +/- 1.45   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.21 +/- 1.23   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.93 +/- 1.20   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.62, residual support = 4.6:
        T QG2   THR  118 - HB2   ASP- 105   4.89 +/- 4.05 100.000% *100.0000% (0.54 10.00   1.62   4.60) = 100.000%  kept
    Distance limit 3.24 A violated in 6 structures by 2.18 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.62, residual support = 4.6:
        T QG2   THR  118 - HB3   ASP- 105   5.50 +/- 4.12 100.000% *100.0000% (0.57 10.00   1.62   4.60) = 100.000%  kept
    Distance limit 3.44 A violated in 8 structures by 2.38 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.884, support = 4.37, residual support = 47.3:
          HB2   PHE   97 - HB2   ASP- 105   4.13 +/- 0.79  70.725% * 55.6136% (0.89   4.55  55.82) =  75.733%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.75 +/- 1.60  28.711% * 43.8961% (0.85   3.79  20.53) =  24.266%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.77 +/- 1.20   0.455% *  0.0644% (0.24   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB2   ASP- 105  12.89 +/- 1.77   0.097% *  0.1875% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.39 +/- 1.63   0.012% *  0.2384% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.844, support = 3.64, residual support = 54.0:
        T HB2   PHE   97 - HB3   ASP- 105   3.60 +/- 0.85  88.863% * 67.7091% (0.87 10.00   3.64  55.82) =  94.950%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.38 +/- 1.47   9.972% * 32.0903% (0.41 10.00   3.66  20.53) =   5.050%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.64 +/- 1.32   0.737% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.09 +/- 1.20   0.336% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.44 +/- 1.73   0.058% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.56 +/- 1.80   0.027% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  18.33 +/- 1.56   0.008% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.16, residual support = 42.1:
      O T HA    ASP- 105 - HB3   ASP- 105   2.86 +/- 0.22  99.999% * 99.8608% (0.87  10.0 10.00   3.16  42.13) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.18 +/- 1.14   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.81 +/- 1.46   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.69 +/- 1.42   0.000% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.6, residual support = 42.1:
      O   HN    ASP- 105 - HB3   ASP- 105   2.82 +/- 0.39  99.996% * 99.9603% (0.95  10.0   4.60  42.13) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.44 +/- 2.05   0.004% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.8, residual support = 20.5:
          HN    LYS+ 106 - HB3   ASP- 105   3.86 +/- 0.38  99.227% * 99.5380% (0.18   3.80  20.53) =  99.996%  kept
          HN    VAL   41 - HB3   ASP- 105  10.07 +/- 1.34   0.773% *  0.4620% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.45, residual support = 55.8:
          QD    PHE   97 - HB2   ASP- 105   4.03 +/- 0.87  99.866% * 99.3191% (0.87   3.45  55.82) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  13.96 +/- 3.95   0.130% *  0.5418% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  23.90 +/- 2.08   0.004% *  0.1391% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 3 structures by 0.30 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.74, residual support = 42.1:
      O   HN    ASP- 105 - HB2   ASP- 105   3.49 +/- 0.29  99.990% * 99.9603% (0.89  10.0   4.74  42.13) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  17.00 +/- 2.17   0.010% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.8, residual support = 20.5:
          HN    LYS+ 106 - HB2   ASP- 105   2.91 +/- 0.35  99.898% * 99.5382% (0.17   3.80  20.53) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  10.96 +/- 1.43   0.102% *  0.4618% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.987, residual support = 1.97:
        T HA    MET   96 - HA    LYS+ 106   3.37 +/- 1.15  99.731% * 99.9124% (0.87 10.00   0.99   1.97) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.53 +/- 0.63   0.269% *  0.0876% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 2 structures by 0.35 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.37, residual support = 8.73:
          QD    PHE   97 - HA    LYS+ 106   4.13 +/- 1.21  99.291% * 99.5052% (0.45   3.37   8.73) =  99.996%  kept
          HZ3   TRP   87 - HA    LYS+ 106  11.79 +/- 3.35   0.709% *  0.4948% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.79 A violated in 6 structures by 0.68 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.54, residual support = 8.73:
          HN    PHE   97 - HA    LYS+ 106   3.85 +/- 1.14  98.080% * 98.9774% (0.90   2.54   8.73) =  99.987%  kept
          HN    LEU  115 - HA    LYS+ 106   9.92 +/- 1.14   1.482% *  0.7806% (0.90   0.02   0.02) =   0.012%
          HN    ASP- 113 - HA    LYS+ 106  12.67 +/- 1.37   0.438% *  0.2420% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 2 structures by 0.40 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 136.5:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.18 136.51) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.9:
      O   HN    VAL  107 - HA    LYS+ 106   2.26 +/- 0.08 100.000% * 99.8992% (0.99  10.0   4.58  26.94) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.54 +/- 1.26   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.42, residual support = 136.5:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.10 +/- 0.26  99.922% * 99.9120% (0.18  10.0   5.42 136.51) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.76 +/- 0.91   0.078% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.16, residual support = 26.9:
          HN    VAL  107 - QB    LYS+ 106   3.12 +/- 0.23  99.996% * 99.6104% (0.99   5.16  26.94) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.65 +/- 1.35   0.004% *  0.3896% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 136.5:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.42 +/- 0.08  99.734% * 94.0497% (0.61  10.0 10.00   5.95 136.51) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.90 +/- 1.09   0.114% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.94 +/- 1.22   0.009% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.49 +/- 0.72   0.031% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.69 +/- 2.70   0.065% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.18 +/- 1.64   0.011% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.62 +/- 1.55   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.30 +/- 0.97   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.67 +/- 1.34   0.006% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.94 +/- 0.75   0.023% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.45 +/- 0.98   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.88 +/- 2.27   0.003% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.96 +/- 1.39   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 6.04:
          QG2   VAL  108 - QB    LYS+ 106   2.98 +/- 0.21  99.067% * 98.4944% (1.00   2.73   6.04) =  99.994%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.13 +/- 0.53   0.720% *  0.7076% (0.98   0.02   0.02) =   0.005%
          QD1   ILE  119 - QB    LYS+ 106   9.47 +/- 1.96   0.202% *  0.5517% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  14.11 +/- 1.42   0.011% *  0.2462% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 4.61, residual support = 26.7:
          QG2   VAL  107 - QB    LYS+ 106   5.24 +/- 0.35  21.298% * 98.7203% (0.76   4.66  26.94) =  99.002%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.62 +/- 2.10  22.582% *  0.5531% (1.00   0.02   0.02) =   0.588%  kept
          QG2   THR   94 - QB    LYS+ 106   4.51 +/- 1.33  55.584% *  0.1541% (0.28   0.02   0.02) =   0.403%
          HG2   LYS+ 121 - QB    LYS+ 106  11.03 +/- 2.59   0.397% *  0.2917% (0.53   0.02   0.02) =   0.005%
          HB3   LYS+ 112 - QB    LYS+ 106  13.70 +/- 1.46   0.116% *  0.1711% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.33 +/- 0.87   0.024% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 13 structures by 0.91 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.97, residual support = 101.9:
          HN    LYS+  81 - QG    LYS+  81   2.18 +/- 0.43  99.811% * 82.2238% (0.13   4.97 101.90) =  99.997%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.62 +/- 1.40   0.109% *  0.8532% (0.34   0.02   0.02) =   0.001%
          HE3   TRP   27 - HG2   LYS+  33   9.14 +/- 0.48   0.036% *  2.4357% (0.98   0.02   0.02) =   0.001%
          HN    THR   23 - QG    LYS+  81   9.39 +/- 0.78   0.022% *  0.6260% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.26 +/- 0.65   0.006% *  1.1662% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  12.99 +/- 0.54   0.005% *  1.3074% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.86 +/- 1.58   0.002% *  1.4772% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.54 +/- 1.52   0.001% *  1.4256% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.30 +/- 1.21   0.003% *  0.6736% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.00 +/- 1.97   0.001% *  1.1255% (0.45   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.69 +/- 1.51   0.001% *  1.4069% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  17.01 +/- 1.34   0.001% *  0.4918% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  17.33 +/- 2.28   0.001% *  0.2982% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.37 +/- 1.82   0.000% *  0.7929% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.33 +/- 0.83   0.000% *  0.6909% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.67 +/- 1.99   0.000% *  0.4190% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.60 +/- 1.99   0.000% *  2.3507% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.60 +/- 0.91   0.000% *  0.2354% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.271, support = 0.717, residual support = 1.43:
          HN    GLU-  79 - QG    LYS+  81   3.83 +/- 0.25  99.457% * 80.6043% (0.27   0.72   1.43) =  99.989%  kept
          HN    VAL   70 - HG2   LYS+  33  12.79 +/- 1.35   0.084% *  4.0394% (0.49   0.02   0.02) =   0.004%
          HN    THR   94 - HG2   LYS+ 106  10.40 +/- 1.14   0.309% *  0.9960% (0.12   0.02   0.02) =   0.004%
          HN    THR   94 - QG    LYS+  81  12.42 +/- 0.92   0.105% *  0.7863% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.24 +/- 1.94   0.025% *  2.4498% (0.30   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  19.80 +/- 0.83   0.005% *  4.6984% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.46 +/- 1.90   0.008% *  2.8494% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.70 +/- 0.97   0.004% *  1.6423% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.95 +/- 0.64   0.002% *  1.9340% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 136.5:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.09 +/- 0.40  99.974% * 99.8764% (0.18  10.0   5.66 136.51) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.64 +/- 1.03   0.021% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.99 +/- 1.19   0.003% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.80 +/- 1.02   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.6:
        T HB2   PHE   95 - HB    VAL  107   2.49 +/- 0.64 100.000% *100.0000% (0.69 10.00   4.31  45.62) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.21, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.815% * 99.7352% (0.72  10.0 10.00   3.21  60.20) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.57 +/- 2.43   0.166% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  11.31 +/- 2.59   0.010% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.54 +/- 1.17   0.008% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  15.66 +/- 0.69   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.36 +/- 0.99   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.89, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.819% * 99.5954% (0.71  10.0 10.00   3.89  60.20) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.57 +/- 2.43   0.165% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  10.66 +/- 1.80   0.015% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  17.36 +/- 0.71   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  18.06 +/- 1.02   0.000% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.36 +/- 0.99   0.000% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.65, support = 0.709, residual support = 6.57:
          QD2   LEU  115 - HB    VAL  107   5.90 +/- 2.41  38.464% * 70.0582% (0.67   0.75   7.25) =  90.680%  kept
          QD2   LEU   63 - HB    VAL  107   7.21 +/- 1.19   7.655% * 22.2645% (0.33   0.49   0.02) =   5.736%  kept
          QD1   LEU   63 - HB    VAL  107   5.49 +/- 1.22  49.201% *  1.9837% (0.71   0.02   0.02) =   3.284%  kept
          QD1   LEU   73 - HB    VAL  107  12.06 +/- 2.06   4.103% *  1.9837% (0.71   0.02   0.02) =   0.274%
          QD1   LEU  104 - HB    VAL  107  10.84 +/- 0.90   0.451% *  1.3902% (0.50   0.02   0.02) =   0.021%
          QD2   LEU   80 - HB    VAL  107  14.83 +/- 0.74   0.062% *  1.8150% (0.65   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB    VAL  107  15.13 +/- 1.09   0.063% *  0.5046% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 3 structures by 0.47 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 45.6:
          QD    PHE   95 - HB    VAL  107   2.47 +/- 0.58  99.990% * 99.8338% (0.63   3.85  45.62) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  12.83 +/- 0.92   0.010% *  0.1662% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.34:
          QD    PHE   97 - HB    VAL  107   6.27 +/- 1.31  98.646% * 54.4328% (0.33   0.02   2.37) =  98.864%  kept
          HZ3   TRP   87 - HB    VAL  107  14.37 +/- 1.96   1.354% * 45.5672% (0.27   0.02   0.02) =   1.136%  kept
    Distance limit 3.72 A violated in 18 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.2:
      O   HN    VAL  107 - HB    VAL  107   2.45 +/- 0.39  99.998% * 99.8992% (0.72  10.0   3.33  60.20) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.44 +/- 1.03   0.002% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 45.6:
          HN    PHE   95 - HB    VAL  107   3.59 +/- 0.49 100.000% *100.0000% (0.47   3.24  45.62) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.35, residual support = 60.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.05 +/- 0.06  98.935% * 99.3136% (0.99  10.0  1.00   4.35  60.20) =  99.998%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.69 +/- 1.98   0.991% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107   8.52 +/- 2.19   0.033% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.44 +/- 1.06   0.014% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24  10.23 +/- 0.30   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  13.93 +/- 0.96   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.30 +/- 0.64   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.80 +/- 0.46   0.017% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.76 +/- 1.51   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  15.40 +/- 0.65   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  23.98 +/- 2.51   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  21.28 +/- 1.92   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.89, residual support = 60.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  99.441% * 99.1597% (0.65  10.0 10.00   3.89  60.20) = 100.000%  kept
          QG    GLU-  79 - QG2   VAL   24   6.11 +/- 0.84   0.290% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   6.60 +/- 1.08   0.153% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.83 +/- 1.31   0.073% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   9.22 +/- 0.98   0.019% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107   9.81 +/- 1.22   0.015% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  17.36 +/- 0.71   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  10.80 +/- 0.82   0.006% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.19 +/- 1.17   0.000% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.07 +/- 0.75   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.30 +/- 0.70   0.001% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  21.29 +/- 1.52   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  17.40 +/- 1.64   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  24.44 +/- 1.39   0.000% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.21, residual support = 60.2:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  99.629% * 99.2330% (0.65  10.0 10.00   3.21  60.20) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.14 +/- 1.71   0.233% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.93 +/- 1.05   0.115% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.12 +/- 1.02   0.022% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.79 +/- 0.85   0.000% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.51 +/- 1.03   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.33 +/- 1.11   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.986, residual support = 5.35:
        T QB    GLU- 114 - QG2   VAL  107   3.70 +/- 0.88  77.131% * 97.4511% (0.65 10.00   0.99   5.36) =  99.897%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.35 +/- 1.26  19.224% *  0.3025% (0.99  1.00   0.02   0.02) =   0.077%
        T HB    ILE  119 - QG2   VAL  107   7.32 +/- 1.66   3.508% *  0.5345% (0.18 10.00   0.02   0.02) =   0.025%
          HB    ILE   19 - QG2   VAL  107  14.58 +/- 0.86   0.036% *  0.1728% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   VAL  107  15.72 +/- 0.70   0.014% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  15.09 +/- 1.62   0.027% *  0.1486% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  16.19 +/- 1.16   0.015% *  0.2444% (0.80  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.45 +/- 1.03   0.012% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  17.47 +/- 1.51   0.010% *  0.1255% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.22 +/- 0.93   0.014% *  0.0535% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.91 +/- 0.77   0.002% *  0.2887% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.14 +/- 1.05   0.006% *  0.0680% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 6 structures by 0.84 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 1.59, residual support = 4.21:
          QD2   LEU  115 - QG1   VAL  107   4.38 +/- 1.53  11.586% * 23.5749% (0.92  1.00   2.71   7.25) =  38.232%  kept
        T QD1   LEU   63 - QG1   VAL  107   4.67 +/- 0.92   3.761% * 64.1665% (0.98 10.00   0.69   0.02) =  33.782%  kept
        T QG1   VAL   83 - QG2   VAL   24   3.07 +/- 2.36  64.282% *  1.7502% (0.06 10.00   0.31   0.65) =  15.748%  kept
          QD2   LEU   80 - QG2   VAL   24   3.26 +/- 0.39  19.488% *  4.4490% (0.21  1.00   2.21  10.96) =  12.136%  kept
        T QD2   LEU   63 - QG1   VAL  107   6.00 +/- 0.93   0.648% *  0.8457% (0.45 10.00   0.02   0.02) =   0.077%
        T QD1   LEU   73 - QG2   VAL   24   8.01 +/- 1.36   0.149% *  0.4394% (0.23 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - QG1   VAL  107   9.07 +/- 0.91   0.050% *  1.2958% (0.69 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   73 - QG1   VAL  107  10.96 +/- 1.65   0.025% *  1.8491% (0.98 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   83 - QG1   VAL  107  13.68 +/- 1.12   0.003% *  0.4704% (0.25 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  15.16 +/- 1.51   0.002% *  0.4394% (0.23 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  15.36 +/- 1.04   0.002% *  0.3080% (0.16 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  13.44 +/- 1.07   0.003% *  0.1692% (0.90  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  16.07 +/- 1.63   0.001% *  0.2010% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  18.14 +/- 1.82   0.001% *  0.0414% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 7.24:
          QD1   LEU  115 - QG2   VAL  107   4.15 +/- 1.95  97.324% * 97.2892% (0.38   1.08   7.25) =  99.923%  kept
          QG1   VAL   75 - QG2   VAL  107  10.03 +/- 0.92   2.676% *  2.7108% (0.57   0.02   0.02) =   0.077%
    Distance limit 3.57 A violated in 6 structures by 1.01 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.862, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107  10.31 +/- 1.39  81.735% * 58.0948% (0.90   0.02   0.02) =  86.119%  kept
          QG2   ILE   19 - QG2   VAL  107  13.52 +/- 0.82  18.265% * 41.9052% (0.65   0.02   0.02) =  13.881%  kept
    Distance limit 3.25 A violated in 20 structures by 6.69 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 60.2:
      O T HA    VAL  107 - QG2   VAL  107   2.51 +/- 0.32  98.458% * 99.4123% (0.45  10.0 10.00   3.63  60.20) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.84 +/- 1.18   1.418% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL  107  10.01 +/- 1.58   0.090% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL  107  10.92 +/- 1.79   0.032% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.07 +/- 0.82   0.002% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.325, support = 1.97, residual support = 7.07:
        T HB    ILE  119 - QG1   VAL  107   6.35 +/- 1.99  40.760% * 43.9765% (0.25 10.00   0.65   0.02) =  63.167%  kept
          HB    VAL  108 - QG1   VAL  107   5.84 +/- 0.51  19.459% * 52.8285% (0.45  1.00   4.32  19.48) =  36.225%  kept
          HB2   PRO   93 - QG1   VAL  107   6.31 +/- 2.17  36.692% *  0.4562% (0.84  1.00   0.02   0.02) =   0.590%  kept
          HG2   PRO   58 - QG1   VAL  107  10.30 +/- 0.97   0.865% *  0.3533% (0.65  1.00   0.02   0.02) =   0.011%
          HG3   PRO   52 - QG1   VAL  107  12.76 +/- 2.08   0.242% *  0.3533% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QG2   VAL   24   8.90 +/- 0.49   1.532% *  0.0324% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG1   VAL  107  13.08 +/- 1.29   0.164% *  0.2873% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG1   VAL  107  15.84 +/- 1.00   0.048% *  0.1362% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   VAL   24  16.70 +/- 0.92   0.042% *  0.1084% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  107  17.14 +/- 0.97   0.036% *  0.1081% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL  107  20.75 +/- 1.14   0.009% *  0.3966% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   VAL   24  17.00 +/- 1.77   0.040% *  0.0582% (0.11  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG2   VAL   24  18.70 +/- 1.52   0.024% *  0.0942% (0.17  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG2   VAL   24  19.34 +/- 2.16   0.021% *  0.0840% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL   24  17.29 +/- 1.50   0.041% *  0.0257% (0.05  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  107  28.10 +/- 1.44   0.002% *  0.4174% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL   24  21.52 +/- 1.85   0.009% *  0.0683% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG2   VAL   24  23.11 +/- 0.86   0.006% *  0.0840% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL   24  26.40 +/- 1.84   0.002% *  0.0992% (0.18  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG2   VAL   24  22.91 +/- 1.60   0.006% *  0.0324% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 13 structures by 1.09 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.879, support = 1.53, residual support = 7.03:
          HA    LEU  115 - QG1   VAL  107   2.96 +/- 1.96  74.630% * 35.9546% (0.90   1.42   7.25) =  76.862%  kept
          HA    GLU- 114 - QG1   VAL  107   4.28 +/- 1.08  13.925% * 49.5843% (0.92   1.90   5.36) =  19.778%  kept
          HA    ASN   28 - QG2   VAL   24   5.02 +/- 0.35  10.184% * 11.5084% (0.21   1.97  11.93) =   3.357%  kept
          HA    THR   26 - QG2   VAL   24   6.62 +/- 0.20   1.125% *  0.0815% (0.14   0.02   2.69) =   0.003%
          HA    ARG+  54 - QG1   VAL  107  11.77 +/- 1.09   0.077% *  0.1929% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.41 +/- 0.80   0.007% *  0.5605% (0.99   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  14.13 +/- 2.26   0.018% *  0.1332% (0.24   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.50 +/- 0.44   0.017% *  0.1317% (0.23   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.25 +/- 0.77   0.004% *  0.4905% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.05 +/- 0.88   0.004% *  0.5543% (0.98   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  19.90 +/- 1.02   0.002% *  0.3430% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  14.06 +/- 1.81   0.004% *  0.1410% (0.25   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  20.21 +/- 1.27   0.002% *  0.0458% (0.08   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.74 +/- 1.13   0.001% *  0.1241% (0.22   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  20.83 +/- 1.17   0.001% *  0.1205% (0.21   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  27.72 +/- 2.63   0.000% *  0.0335% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 2 structures by 0.12 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.59, residual support = 60.2:
      O T HA    VAL  107 - QG1   VAL  107   2.38 +/- 0.37  98.767% * 99.0400% (0.45  10.0 10.00   4.59  60.20) =  99.999%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.75 +/- 0.88   0.455% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL   24   5.86 +/- 0.20   0.724% *  0.0439% (0.20   1.0  1.00   0.02  26.10) =   0.000%
          HA    ALA   91 - QG1   VAL  107  11.19 +/- 1.83   0.036% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  12.07 +/- 1.60   0.014% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  15.99 +/- 0.99   0.002% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  18.23 +/- 0.62   0.001% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.75 +/- 1.31   0.002% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.95 +/- 1.61   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.49 +/- 1.49   0.000% *  0.0179% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.119, support = 3.01, residual support = 25.9:
          HD1   TRP   27 - QG2   VAL   24   2.33 +/- 0.44  97.702% * 64.9894% (0.12   3.04  26.10) =  99.131%  kept
          QD    PHE   59 - QG1   VAL  107   5.20 +/- 1.19   2.265% * 24.5396% (0.49   0.27   0.11) =   0.868%  kept
          HH2   TRP   49 - QG1   VAL  107  13.62 +/- 2.10   0.006% *  3.5700% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG2   VAL   24   9.96 +/- 1.22   0.023% *  0.7343% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG1   VAL  107  15.68 +/- 1.32   0.002% *  3.0898% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.30 +/- 1.02   0.001% *  1.8006% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.56 +/- 1.93   0.001% *  0.8484% (0.23   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  18.78 +/- 1.42   0.001% *  0.4279% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.85, residual support = 45.6:
          QD    PHE   95 - QG2   VAL  107   2.82 +/- 0.70  99.442% * 99.4871% (0.95   3.85  45.62) =  99.999%  kept
          QE    PHE   72 - QG2   VAL  107   8.97 +/- 1.42   0.493% *  0.0956% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL  107  10.69 +/- 1.13   0.064% *  0.4173% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.89, support = 1.47, residual support = 7.1:
          HN    LEU  115 - QG2   VAL  107   3.94 +/- 1.11  83.696% * 76.5126% (0.90   1.50   7.25) =  97.629%  kept
          HN    PHE   97 - QG2   VAL  107   7.57 +/- 0.84   4.797% * 17.1041% (0.90   0.34   2.37) =   1.251%  kept
          HN    ASP- 113 - QG2   VAL  107   6.24 +/- 1.06  11.506% *  6.3833% (0.28   0.40   0.02) =   1.120%  kept
    Distance limit 3.78 A violated in 3 structures by 0.35 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 19.5:
          HN    VAL  108 - QG2   VAL  107   3.44 +/- 0.32  99.456% * 99.3373% (0.57   3.64  19.48) =  99.996%  kept
          HN    VAL   43 - QG2   VAL  107   9.02 +/- 0.71   0.544% *  0.6627% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.35 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   3.03 +/- 0.46  99.974% * 99.2849% (0.99   4.13  60.20) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.29 +/- 1.56   0.019% *  0.4854% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  16.46 +/- 0.95   0.005% *  0.1143% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  18.91 +/- 1.30   0.002% *  0.1154% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.666, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.60 +/- 0.62  85.073% * 80.7980% (0.69   0.02   0.02) =  95.997%  kept
          HN    VAL   43 - QG2   VAL   24  11.65 +/- 0.62  14.927% * 19.2020% (0.16   0.02   0.02) =   4.003%  kept
    Distance limit 3.42 A violated in 20 structures by 4.94 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 = 6.42:
      O   HN    ALA  110 - HA2   GLY  109   2.81 +/- 0.37  99.960% * 99.9027% (0.99  10.0   2.20   6.42) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.28 +/- 1.51   0.040% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.25:
      O   HN    GLY  109 - HA2   GLY  109   2.55 +/- 0.25  99.947% * 99.5895% (0.53  10.0   2.20   9.25) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  10.76 +/- 2.83   0.052% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.41 +/- 1.17   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  21.05 +/- 2.27   0.000% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.67, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   3.11 +/- 0.48  99.936% * 99.8788% (0.57  10.0   4.67  65.01) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.56 +/- 1.11   0.064% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.55:
          HN    GLY  109 - QG1   VAL  108   2.62 +/- 0.29  97.333% * 89.7983% (0.14   3.09   7.56) =  99.887%  kept
          HN    GLN   90 - QG1   VAL  108   7.58 +/- 3.42   2.654% *  3.7235% (0.87   0.02   0.02) =   0.113%
          HN    ILE  103 - QG1   VAL  108  13.37 +/- 1.27   0.007% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  15.90 +/- 2.59   0.003% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  20.29 +/- 2.25   0.003% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.0:
          HN    VAL  108 - QG1   VAL  108   3.59 +/- 0.05  99.873% * 99.4663% (0.57   4.52  65.01) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.20 +/- 0.97   0.127% *  0.5337% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.44 +/- 0.60  99.859% * 99.4087% (0.57   4.08  65.01) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.28 +/- 1.07   0.141% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.798, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.72 +/- 0.90  88.113% * 32.6470% (0.80   0.02   0.02) =  88.704%  kept
          HN    SER   82 - QG2   VAL  108  15.85 +/- 2.43   8.943% * 28.0060% (0.69   0.02   0.02) =   7.723%  kept
          HN    GLY   16 - QG2   VAL  108  18.62 +/- 2.12   2.944% * 39.3470% (0.97   0.02   0.02) =   3.573%  kept
    Distance limit 4.22 A violated in 20 structures by 5.28 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.42 +/- 1.60 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.79 A violated in 20 structures by 11.63 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 6.04:
          HA    LYS+ 106 - QG2   VAL  108   4.73 +/- 0.08 100.000% *100.0000% (0.28   1.42   6.04) = 100.000%  kept
    Distance limit 3.94 A violated in 1 structures by 0.79 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.57, residual support = 315.5:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.40 +/- 0.20  96.792% * 98.2964% (0.69  10.0  1.00   6.57 315.54) =  99.997%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.96 +/- 2.36   2.532% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.04 +/- 0.73   0.656% *  0.0251% (0.18   1.0  1.00   0.02  28.14) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.80 +/- 2.43   0.008% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  13.60 +/- 2.23   0.005% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.21 +/- 1.34   0.004% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  16.08 +/- 2.16   0.002% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.97 +/- 2.76   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.28 +/- 0.93   0.001% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.67 +/- 2.22   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.23 +/- 2.19   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  23.24 +/- 2.70   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.24 +/- 2.52   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.83 +/- 2.73   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.321, support = 3.29, residual support = 27.3:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.04 +/- 1.67  32.797% * 87.4652% (0.31  1.00   3.39  28.14) =  97.149%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.83 +/- 2.00  64.899% *  1.2774% (0.76  1.00   0.02   0.02) =   2.808%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.35 +/- 2.18   2.261% *  0.4647% (0.28  1.00   0.02   0.02) =   0.036%
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.75 +/- 1.68   0.025% *  8.7941% (0.53 10.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB3   LYS+ 111  16.77 +/- 2.58   0.013% *  1.6678% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.11 +/- 1.48   0.004% *  0.3308% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 1 structures by 0.54 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 315.5:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.86 +/- 0.20  98.519% * 99.9336% (0.97  10.0   6.97 315.54) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.18 +/- 1.97   1.450% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  12.23 +/- 2.88   0.031% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.5:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.75 +/- 0.59  99.900% * 99.6823% (0.73  10.0   5.50 315.54) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.61 +/- 1.96   0.088% *  0.0468% (0.34   1.0   0.02   2.17) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.16 +/- 1.36   0.010% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  21.00 +/- 2.33   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.10 +/- 2.94   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.5:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.09 +/- 0.60  99.288% * 99.5678% (1.00  10.0   7.06 315.54) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.10 +/- 2.09   0.094% *  0.0834% (0.84   1.0   0.02   2.17) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.35 +/- 0.99   0.131% *  0.0146% (0.15   1.0   0.02   1.63) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.57 +/- 0.73   0.447% *  0.0031% (0.03   1.0   0.02   8.35) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.44 +/- 1.37   0.018% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  14.89 +/- 1.14   0.014% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.75 +/- 2.04   0.001% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.56 +/- 1.25   0.003% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.89 +/- 2.05   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.78 +/- 1.88   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.69 +/- 2.30   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.42 +/- 1.66   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 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.5:
          HN    LYS+ 111 - HG2   LYS+ 111   3.78 +/- 0.37  99.667% * 94.2738% (0.18   6.51 315.54) =  99.997%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.62 +/- 2.40   0.226% *  0.8044% (0.49   0.02   2.17) =   0.002%
          QE    PHE   60 - HG2   LYS+ 111  14.54 +/- 2.91   0.065% *  0.5101% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  15.94 +/- 1.74   0.030% *  1.0023% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.18 +/- 2.73   0.006% *  1.4821% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.22 +/- 2.53   0.001% *  1.6379% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.08 +/- 2.80   0.005% *  0.2894% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.5:
          HN    LYS+ 111 - HG3   LYS+ 111   3.41 +/- 0.30  99.306% * 98.0211% (0.65   6.55 315.54) =  99.998%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.67 +/- 2.80   0.337% *  0.4466% (0.97   0.02   2.17) =   0.002%
          HN    LEU   63 - HG3   LYS+ 111  15.51 +/- 1.86   0.020% *  0.4618% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.96 +/- 1.39   0.076% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  11.90 +/- 1.03   0.083% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.60 +/- 1.11   0.050% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  12.15 +/- 1.04   0.069% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  12.99 +/- 0.77   0.039% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  20.98 +/- 2.61   0.003% *  0.2994% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.24 +/- 2.35   0.003% *  0.1737% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.41 +/- 2.06   0.012% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.23 +/- 2.32   0.001% *  0.2620% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.53 +/- 0.89   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  34.07 +/- 2.85   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.7, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   2.94 +/- 0.72  99.839% * 92.7765% (0.09   5.70  32.05) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.99 +/- 1.26   0.148% *  0.4032% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.00 +/- 2.21   0.010% *  3.0478% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.17 +/- 2.26   0.003% *  3.7725% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.757, support = 0.842, residual support = 2.54:
        T HB2   LEU  115 - HA    LYS+ 112   2.92 +/- 0.68  89.989% * 69.0132% (0.76 10.00   0.75   2.23) =  97.662%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.26 +/- 0.28   5.047% * 15.6257% (0.18  1.00   7.41  28.14) =   1.240%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.60 +/- 0.44   4.832% * 14.4365% (0.73  1.00   1.65   1.34) =   1.097%  kept
          HG3   PRO   58 - HA    LYS+ 112  10.04 +/- 1.73   0.118% *  0.1928% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  17.16 +/- 1.90   0.005% *  0.0904% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  20.36 +/- 2.50   0.001% *  0.2089% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.53 +/- 1.97   0.001% *  0.1928% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.06 +/- 1.82   0.004% *  0.0422% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  20.80 +/- 1.75   0.001% *  0.0536% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.30 +/- 1.81   0.001% *  0.0536% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  31.23 +/- 1.66   0.000% *  0.0904% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.54:
        T QD1   ILE   56 - HA    LYS+ 112   4.86 +/- 2.17  96.554% * 99.7136% (0.84 10.00   1.82   8.54) =  99.998%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.12 +/- 0.74   0.913% *  0.1214% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  11.65 +/- 1.26   1.845% *  0.0366% (0.28  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    LYS+ 112  17.25 +/- 2.61   0.643% *  0.0744% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.76 +/- 1.86   0.046% *  0.0541% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 12 structures by 1.87 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 1.56, residual support = 2.68:
          QD    PHE   55 - HA    LYS+ 112   5.76 +/- 2.72  75.040% * 96.6697% (0.95   1.56   2.69) =  99.748%  kept
          QE    PHE   95 - HA    LYS+ 112   7.61 +/- 1.51  24.672% *  0.7399% (0.57   0.02   0.02) =   0.251%
          HN    LEU   67 - HA    LYS+ 112  16.64 +/- 1.76   0.247% *  0.2586% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+ 112  22.74 +/- 1.60   0.021% *  1.2809% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  25.45 +/- 1.95   0.010% *  0.6875% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  24.93 +/- 1.64   0.010% *  0.3633% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 13 structures by 2.13 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 231.5:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.79 +/- 0.04  99.980% * 99.7200% (0.92  10.0   5.75 231.52) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.40 +/- 1.96   0.015% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.84 +/- 1.51   0.004% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.65 +/- 1.85   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  37.92 +/- 2.42   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 231.5:
          HN    LYS+ 112 - HG2   LYS+ 112   3.54 +/- 0.48  99.985% * 98.9779% (0.41   6.23 231.52) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  21.00 +/- 2.51   0.005% *  0.5907% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  18.01 +/- 2.37   0.010% *  0.2386% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  38.51 +/- 3.44   0.000% *  0.1927% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 0.02, residual support = 0.482:
          QE    PHE   59 - HG2   LYS+ 112   6.95 +/- 2.00  57.099% * 30.2011% (0.90   0.02   0.51) =  69.091%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.16 +/- 2.33  34.870% * 17.7173% (0.53   0.02   0.51) =  24.752%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.87 +/- 2.12   5.895% * 15.0977% (0.45   0.02   0.02) =   3.566%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.93 +/- 2.87   2.067% * 31.0863% (0.92   0.02   0.02) =   2.574%  kept
          HN    LYS+  81 - HG2   LYS+ 112  25.37 +/- 2.35   0.070% *  5.8976% (0.18   0.02   0.02) =   0.016%
    Distance limit 4.01 A violated in 17 structures by 2.20 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 = 231.5:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.42 +/- 0.38  99.895% * 93.9398% (0.20  10.0 10.00   4.58 231.52) =  99.995%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.26 +/- 2.31   0.101% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HG3   MET   96 - HG2   LYS+ 112  18.42 +/- 2.36   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.13 +/- 2.13   0.002% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  24.87 +/- 2.19   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.65 +/- 2.83   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  34.52 +/- 3.05   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.5:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.82 +/- 0.42  99.948% * 93.9398% (0.20  10.0 10.00   4.65 231.52) =  99.998%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.80 +/- 1.92   0.041% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG3   LYS+ 112  18.89 +/- 2.03   0.003% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  16.45 +/- 2.30   0.008% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  25.19 +/- 2.30   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  33.22 +/- 2.72   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  35.18 +/- 2.67   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.41, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   9.35 +/- 2.10  91.733% *  6.9459% (0.28   0.02   0.02) =  78.203%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.15 +/- 3.06   4.846% * 24.1093% (0.97   0.02   0.02) =  14.338%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.25 +/- 2.53   2.538% * 17.1603% (0.69   0.02   0.02) =   5.345%  kept
          HD2   HIS   22 - HG3   LYS+ 112  23.79 +/- 3.61   0.558% * 24.9820% (1.00   0.02   0.02) =   1.710%  kept
          HN    THR   23 - HG3   LYS+ 112  26.45 +/- 2.69   0.258% *  7.7106% (0.31   0.02   0.02) =   0.244%
          HD21  ASN   35 - HG3   LYS+ 112  33.03 +/- 2.42   0.068% * 19.0919% (0.76   0.02   0.02) =   0.160%
    Distance limit 4.14 A violated in 20 structures by 5.06 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 = 231.5:
          HN    LYS+ 112 - HG3   LYS+ 112   3.25 +/- 0.46  99.993% * 98.9285% (0.41   5.94 231.52) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  21.26 +/- 2.76   0.002% *  0.6193% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  18.48 +/- 2.45   0.004% *  0.2501% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  39.14 +/- 2.90   0.000% *  0.2021% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.66, residual support = 231.5:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.36 +/- 0.14  99.971% * 95.1769% (0.20  10.0  1.00   3.66 231.52) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  10.82 +/- 2.02   0.028% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.57 +/- 1.84   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.15 +/- 2.47   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  26.07 +/- 2.37   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.47 +/- 2.51   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  35.18 +/- 2.45   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.5:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.70 +/- 0.20  99.948% * 99.7845% (0.85  10.0   5.53 231.52) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.39 +/- 2.60   0.037% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  13.34 +/- 2.04   0.015% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 231.5:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.37 +/- 0.15  99.950% * 98.0934% (0.19  10.0   2.96 231.52) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  10.34 +/- 2.04   0.049% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  18.86 +/- 1.87   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  16.96 +/- 2.14   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  25.76 +/- 2.18   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.01 +/- 2.29   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  34.47 +/- 2.52   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.58, residual support = 231.5:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.42 +/- 0.38  99.779% * 99.5374% (0.75  10.0 10.00   4.58 231.52) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  11.26 +/- 2.31   0.101% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.09 +/- 2.40   0.039% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  11.85 +/- 2.35   0.024% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   9.52 +/- 1.00   0.055% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.59 +/- 1.26   0.003% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 8.53:
          QD1   ILE   56 - QE    LYS+ 112   4.61 +/- 2.11  72.055% * 88.7513% (0.44   1.45   8.54) =  99.878%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.90 +/- 0.97  20.733% *  0.2503% (0.09   0.02   0.02) =   0.081%
          QG2   VAL   18 - HB3   ASP-  62   7.98 +/- 1.02   5.156% *  0.1956% (0.07   0.02   0.02) =   0.016%
          QD2   LEU   73 - QE    LYS+ 112  15.92 +/- 3.04   0.248% *  1.8623% (0.67   0.02   0.02) =   0.007%
          QG2   VAL   18 - QE    LYS+ 112  12.10 +/- 1.84   0.406% *  0.9561% (0.34   0.02   0.02) =   0.006%
          QG2   THR   46 - QE    LYS+ 112  11.69 +/- 1.92   0.435% *  0.7178% (0.26   0.02   0.02) =   0.005%
          QG1   VAL   43 - QE    LYS+ 112  15.29 +/- 2.00   0.113% *  1.5045% (0.54   0.02   0.02) =   0.003%
          QD2   LEU   73 - HB3   ASP-  62  13.18 +/- 1.33   0.223% *  0.3810% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  18.18 +/- 2.25   0.039% *  1.9426% (0.70   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   ASP-  62  12.33 +/- 1.16   0.374% *  0.1469% (0.05   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  14.27 +/- 0.74   0.129% *  0.3078% (0.11   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  15.77 +/- 0.79   0.071% *  0.3975% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  23.34 +/- 2.21   0.008% *  2.1469% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  22.19 +/- 1.16   0.010% *  0.4393% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 10 structures by 1.44 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.5:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.82 +/- 0.42  94.939% * 98.8386% (0.81  10.0 10.00   4.65 231.52) =  99.999%  kept
          HG    LEU   63 - HB3   ASP-  62   5.60 +/- 0.96   3.928% *  0.0188% (0.15   1.0  1.00   0.02  42.54) =   0.001%
          HG    LEU   63 - QE    LYS+ 112  10.50 +/- 2.74   0.203% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.80 +/- 1.92   0.037% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.60 +/- 2.78   0.820% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.95 +/- 1.29   0.062% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  21.29 +/- 1.52   0.001% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  18.02 +/- 2.77   0.006% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  22.07 +/- 0.82   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.38 +/- 1.59   0.003% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.496, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   7.14 +/- 1.71  38.071% * 59.7816% (0.51 10.00   0.02   0.02) =  93.638%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.40 +/- 1.55  13.741% *  6.3761% (0.54  1.00   0.02   0.02) =   3.605%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.78 +/- 2.06  42.890% *  1.3045% (0.11  1.00   0.02   0.02) =   2.302%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.70 +/- 0.87   3.796% *  1.2231% (0.10  1.00   0.02   0.02) =   0.191%
          HG2   LYS+ 121 - QE    LYS+ 112  14.95 +/- 1.32   0.283% *  8.2327% (0.70  1.00   0.02   0.02) =   0.096%
          QB    ALA   20 - QE    LYS+ 112  16.49 +/- 1.77   0.228% *  9.8344% (0.83  1.00   0.02   0.02) =   0.092%
          QB    ALA   20 - HB3   ASP-  62  14.19 +/- 0.87   0.554% *  2.0121% (0.17  1.00   0.02   0.02) =   0.046%
          HG2   LYS+ 121 - HB3   ASP-  62  14.95 +/- 2.31   0.259% *  1.6844% (0.14  1.00   0.02   0.02) =   0.018%
          HG13  ILE  103 - QE    LYS+ 112  18.83 +/- 2.45   0.081% *  1.9506% (0.17  1.00   0.02   0.02) =   0.007%
          HB3   LEU   31 - QE    LYS+ 112  24.75 +/- 2.11   0.015% *  5.9782% (0.51  1.00   0.02   0.02) =   0.004%
          HB3   LEU   31 - HB3   ASP-  62  23.53 +/- 1.13   0.022% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   ASP-  62  19.48 +/- 1.12   0.060% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 16 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 0.809, residual support = 2.68:
          QD    PHE   55 - QE    LYS+ 112   4.33 +/- 2.53  83.434% * 87.8397% (0.72   0.81   2.69) =  99.629%  kept
          QE    PHE   95 - QE    LYS+ 112   7.96 +/- 2.17   9.746% *  2.4452% (0.82   0.02   0.02) =   0.324%
          QE    PHE   95 - HB3   ASP-  62   8.20 +/- 1.18   2.445% *  0.5003% (0.17   0.02   0.02) =   0.017%
          HN    LEU   67 - HB3   ASP-  62   8.04 +/- 0.51   3.228% *  0.3302% (0.11   0.02   0.02) =   0.014%
          HN    LEU   67 - QE    LYS+ 112  14.95 +/- 2.75   0.508% *  1.6137% (0.54   0.02   0.02) =   0.011%
          QD    PHE   55 - HB3   ASP-  62  10.84 +/- 0.97   0.497% *  0.4427% (0.15   0.02   0.02) =   0.003%
          HD1   TRP   49 - QE    LYS+ 112  15.18 +/- 2.57   0.046% *  0.7699% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  21.17 +/- 2.09   0.013% *  1.9975% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  22.89 +/- 2.16   0.007% *  2.4074% (0.81   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  20.30 +/- 2.64   0.019% *  0.4937% (0.17   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.82 +/- 0.69   0.013% *  0.4087% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  22.25 +/- 0.93   0.007% *  0.4926% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  20.28 +/- 1.59   0.015% *  0.1575% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  19.05 +/- 1.60   0.023% *  0.1010% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 4 structures by 1.07 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.6, residual support = 23.3:
          HN    GLU- 114 - QB    ASP- 113   2.60 +/- 0.19  97.842% * 98.1733% (0.84   3.60  23.34) =  99.986%  kept
          HN    GLN  116 - QB    ASP- 113   5.16 +/- 0.14   1.760% *  0.6405% (0.98   0.02   1.50) =   0.012%
          HN    THR  118 - QB    ASP- 113   6.79 +/- 0.49   0.386% *  0.5233% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.23 +/- 0.77   0.011% *  0.3700% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.18 +/- 1.63   0.000% *  0.2930% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.31, residual support = 13.9:
      O   HN    ASP- 113 - QB    ASP- 113   2.09 +/- 0.07  99.996% * 99.9821% (0.98  10.0   3.31  13.92) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  13.70 +/- 2.36   0.004% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.0199, residual support = 0.0199:
        T QG1   ILE   56 - HA    ASP- 113   8.43 +/- 0.89  96.961% * 39.4133% (0.41 10.00   0.02   0.02) =  99.065%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.50 +/- 1.77   0.499% * 50.4393% (0.53 10.00   0.02   0.02) =   0.653%  kept
          HB    ILE   89 - HA    ASP- 113  20.34 +/- 1.96   1.005% *  8.8499% (0.92  1.00   0.02   0.02) =   0.231%
          HB    VAL   43 - HA    ASP- 113  19.28 +/- 1.69   1.535% *  1.2975% (0.14  1.00   0.02   0.02) =   0.052%
    Distance limit 3.60 A violated in 20 structures by 4.82 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 = 49.0:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.04  55.269% * 54.6721% (0.84  10.0   3.64  43.81) =  87.754%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.03  12.603% * 29.5264% (0.45  10.0   7.44  97.96) =  10.807%  kept
          HN    GLN  116 - HA    GLU- 114   4.49 +/- 0.36   3.934% *  9.8393% (0.98   1.0   3.07   0.29) =   1.124%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.10   1.708% *  5.7886% (0.38   1.0   4.60  16.07) =   0.287%
          HN    THR  118 - HA    GLU- 114   3.83 +/- 0.54  11.934% *  0.0524% (0.80   1.0   0.02   0.02) =   0.018%
          HN    THR  118 - HA    LEU  115   3.60 +/- 0.27  14.359% *  0.0241% (0.37   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   7.79 +/- 0.98   0.180% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.02 +/- 1.10   0.011% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.69 +/- 2.20   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.47 +/- 1.60   0.000% *  0.0293% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.571, support = 6.8, residual support = 157.9:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.03  79.625% * 31.4756% (0.41  10.0   7.71 226.85) =  67.274%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.826% * 68.3936% (0.90  10.0   4.94  16.07) =  32.725%  kept
          HN    ASP- 113 - HA    GLU- 114   5.12 +/- 0.12   2.076% *  0.0212% (0.28   1.0   0.02  23.34) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.67 +/- 0.25   0.435% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  11.55 +/- 2.61   0.028% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.77 +/- 1.55   0.010% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 3.77, residual support = 43.8:
      O   HN    GLU- 114 - QB    GLU- 114   2.29 +/- 0.17  96.715% * 99.6664% (0.81  10.0   3.77  43.81) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   4.65 +/- 0.50   2.243% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   5.14 +/- 0.33   1.018% *  0.1170% (0.95   1.0   0.02   0.29) =   0.001%
          HN    PHE   60 - QB    GLU- 114  10.53 +/- 1.46   0.023% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.38 +/- 1.24   0.000% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 4.81, residual support = 16.3:
          HN    LEU  115 - QB    GLU- 114   3.19 +/- 0.42  86.842% * 82.6688% (0.87   4.86  16.07) =  96.994%  kept
          HN    ASP- 113 - QB    GLU- 114   4.55 +/- 0.24  13.092% * 16.9911% (0.27   3.22  23.34) =   3.005%  kept
          HN    PHE   97 - QB    GLU- 114  10.96 +/- 1.33   0.067% *  0.3401% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 4.4, residual support = 42.4:
          HN    GLU- 114 - QG    GLU- 114   2.61 +/- 0.34  91.630% * 51.9265% (0.83   4.43  43.81) =  96.665%  kept
          HN    GLN  116 - QG    GLU- 114   4.93 +/- 0.71   3.427% * 47.5645% (0.98   3.46   0.29) =   3.312%  kept
          HN    THR  118 - QG    GLU- 114   4.85 +/- 0.75   4.878% *  0.2245% (0.80   0.02   0.02) =   0.022%
          HN    PHE   60 - QG    GLU- 114   9.78 +/- 1.36   0.063% *  0.1588% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.79 +/- 1.59   0.002% *  0.1257% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.43, residual support = 16.1:
          HN    LEU  115 - QG    GLU- 114   2.77 +/- 0.89  99.887% * 98.4459% (0.45   5.43  16.07) = 100.000%  kept
          HN    PHE   97 - QG    GLU- 114  10.42 +/- 1.25   0.112% *  0.3628% (0.45   0.02   0.02) =   0.000%
          HN    ASN   35 - QG    GLU- 114  23.32 +/- 1.19   0.001% *  0.4258% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  30.96 +/- 1.56   0.000% *  0.7655% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.974, support = 1.76, residual support = 5.23:
          QG1   VAL  107 - QG    GLU- 114   2.82 +/- 1.19  93.471% * 67.2834% (0.98   1.79   5.36) =  96.941%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.27 +/- 1.46   6.297% * 31.5119% (0.83   0.98   1.34) =   3.059%  kept
          HG13  ILE  119 - QG    GLU- 114   7.91 +/- 1.31   0.228% *  0.1708% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  19.15 +/- 1.23   0.002% *  0.7082% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.63 +/- 1.16   0.002% *  0.1344% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.66 +/- 1.25   0.001% *  0.1913% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 0.987, residual support = 5.36:
        T QG2   VAL  107 - QB    GLU- 114   3.70 +/- 0.88  97.106% * 98.9147% (0.59 10.00   0.99   5.36) =  99.993%  kept
          HG13  ILE  119 - QB    GLU- 114   8.30 +/- 0.69   2.104% *  0.2138% (0.62  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - QB    GLU- 114   9.98 +/- 1.11   0.708% *  0.2760% (0.81  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QB    GLU- 114  17.79 +/- 1.34   0.013% *  0.3297% (0.96  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QB    GLU- 114  13.34 +/- 1.47   0.065% *  0.0654% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.35 +/- 1.58   0.004% *  0.2004% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 6 structures by 0.76 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 226.8:
      O T HA    LEU  115 - HB3   LEU  115   2.40 +/- 0.22  99.381% * 97.8960% (0.92  10.0 10.00   6.31 226.85) =  99.998%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.26 +/- 0.38   0.460% *  0.4755% (0.45   1.0 10.00   0.02  16.07) =   0.002%
        T HA    ARG+  54 - HB3   LEU  115  10.75 +/- 1.05   0.014% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.07 +/- 0.52   0.089% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40   9.84 +/- 1.21   0.033% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  16.88 +/- 2.29   0.002% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  16.27 +/- 6.88   0.011% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.10 +/- 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  18.84 +/- 1.53   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.08 +/- 0.77   0.002% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  23.55 +/- 1.54   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.99 +/- 0.88   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  23.64 +/- 2.08   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.99 +/- 1.60   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.39 +/- 0.18   0.004% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  23.14 +/- 1.98   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  21.71 +/- 1.75   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  26.11 +/- 1.48   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  29.91 +/- 2.11   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.80 +/- 1.05   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.12, residual support = 226.8:
      O T QD1   LEU  115 - HB3   LEU  115   2.53 +/- 0.39  99.986% * 99.7570% (0.87  10.0 10.00   6.12 226.85) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  14.18 +/- 1.22   0.005% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.88 +/- 2.61   0.003% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.55 +/- 0.90   0.005% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.29, residual support = 226.8:
      O T QD2   LEU  115 - HB3   LEU  115   2.64 +/- 0.41  93.377% * 98.9032% (0.45  10.0 10.00   7.29 226.85) =  99.995%  kept
          QD1   LEU   63 - HB3   LEU  115   6.08 +/- 1.42   2.031% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB3   LEU  115   7.72 +/- 1.60   0.324% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   5.67 +/- 1.35   2.527% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.41 +/- 2.47   0.057% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.23 +/- 0.55   0.850% *  0.0097% (0.04   1.0  1.00   0.02  19.76) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.95 +/- 1.66   0.160% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.28 +/- 1.05   0.146% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.13 +/- 0.65   0.419% *  0.0058% (0.03   1.0  1.00   0.02   8.98) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  15.10 +/- 2.79   0.016% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   9.82 +/- 1.18   0.071% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.45 +/- 1.67   0.004% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  14.59 +/- 1.86   0.005% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.95 +/- 1.91   0.005% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.94 +/- 1.10   0.001% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  18.01 +/- 1.46   0.002% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  15.68 +/- 0.89   0.003% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.05 +/- 1.02   0.002% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.972, support = 7.74, residual support = 93.2:
          HN    GLN  116 - HB3   LEU  115   3.81 +/- 0.44  60.783% * 69.9705% (0.98   8.02  97.96) =  94.280%  kept
          HN    GLU- 114 - HB3   LEU  115   5.46 +/- 0.64   8.943% * 26.1675% (0.84   3.52  16.07) =   5.188%  kept
          HN    THR  118 - HB3   LEU  115   5.62 +/- 0.31   6.520% *  3.6055% (0.80   0.51   0.02) =   0.521%  kept
          HN    PHE   60 - HB3   LEU  115   6.62 +/- 0.80   3.249% *  0.1008% (0.57   0.02   0.02) =   0.007%
          HN    LEU   71 - HB3   LEU   40   5.04 +/- 1.08  20.463% *  0.0094% (0.05   0.02   1.36) =   0.004%
          HN    LEU   71 - HB3   LEU  115  18.33 +/- 2.32   0.007% *  0.0798% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  16.31 +/- 2.91   0.016% *  0.0167% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  16.56 +/- 1.31   0.011% *  0.0118% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.84 +/- 2.43   0.006% *  0.0205% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.40 +/- 1.29   0.003% *  0.0175% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.46, residual support = 226.8:
      O   HN    LEU  115 - HB3   LEU  115   3.06 +/- 0.50  98.410% * 99.8421% (0.90  10.0   7.46 226.85) = 100.000%  kept
          HN    ASP- 113 - HB3   LEU  115   6.27 +/- 0.86   1.399% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  12.96 +/- 2.28   0.035% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.67 +/- 0.82   0.152% *  0.0117% (0.11   1.0   0.02   1.45) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.94 +/- 1.74   0.002% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.08 +/- 1.90   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.14 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   2.92 +/- 0.68  99.906% * 99.6055% (0.69 10.00   0.75   2.23) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.51 +/- 1.07   0.039% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.26 +/- 1.39   0.055% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  23.55 +/- 2.20   0.001% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.931, support = 1.8, residual support = 5.89:
          QE    PHE   95 - HB2   LEU  115   5.63 +/- 1.62  62.782% * 42.7547% (0.98   1.50   6.24) =  56.703%  kept
          QD    PHE   55 - HB2   LEU  115   6.36 +/- 2.28  36.896% * 55.5475% (0.87   2.20   5.43) =  43.294%  kept
          HN    LEU   67 - HB2   LEU  115  14.78 +/- 1.62   0.240% *  0.3762% (0.65   0.02   0.02) =   0.002%
          HE3   TRP   27 - HB2   LEU  115  20.60 +/- 1.60   0.018% *  0.4657% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  17.18 +/- 1.63   0.042% *  0.1795% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.59 +/- 1.57   0.007% *  0.5613% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  21.21 +/- 2.49   0.016% *  0.1151% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 11 structures by 0.90 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.783, support = 7.27, residual support = 94.8:
          HN    GLN  116 - HB2   LEU  115   3.22 +/- 0.53  81.720% * 80.3534% (0.80   7.39  97.96) =  96.100%  kept
          HN    GLU- 114 - HB2   LEU  115   4.57 +/- 0.42  13.956% * 19.0126% (0.34   4.11  16.07) =   3.883%  kept
          HN    THR  118 - HB2   LEU  115   5.66 +/- 0.24   3.624% *  0.2660% (0.98   0.02   0.02) =   0.014%
          HN    PHE   60 - HB2   LEU  115   7.49 +/- 0.84   0.699% *  0.2660% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  23.83 +/- 1.54   0.001% *  0.1019% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.38, residual support = 226.8:
      O   HN    LEU  115 - HB2   LEU  115   2.28 +/- 0.34  99.103% * 99.8692% (0.90  10.0   7.38 226.85) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.21 +/- 0.66   0.892% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  13.34 +/- 2.13   0.006% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.502, support = 5.49, residual support = 69.4:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.04  55.188% * 15.8005% (0.19  10.0   3.64  43.81) =  49.555%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.03  12.585% * 67.7693% (0.82  10.0   7.44  97.96) =  48.467%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.10   1.705% * 13.2860% (0.70   1.0   4.60  16.07) =   1.288%  kept
          HN    GLN  116 - HA    GLU- 114   4.49 +/- 0.36   3.928% *  2.8436% (0.22   1.0   3.07   0.29) =   0.635%  kept
          HN    THR  118 - HA    LEU  115   3.60 +/- 0.27  14.339% *  0.0554% (0.67   1.0   0.02   0.02) =   0.045%
          HN    THR  118 - HA    GLU- 114   3.83 +/- 0.54  11.917% *  0.0151% (0.18   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   7.79 +/- 0.98   0.180% *  0.0391% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.02 +/- 0.85   0.130% *  0.0219% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.31 +/- 1.50   0.009% *  0.0380% (0.46   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.02 +/- 1.10   0.011% *  0.0107% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.33 +/- 1.02   0.004% *  0.0324% (0.39   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  15.65 +/- 1.77   0.003% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.69 +/- 2.20   0.001% *  0.0310% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.79 +/- 1.38   0.000% *  0.0174% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.47 +/- 1.60   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.718, support = 7.55, residual support = 214.7:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.03  79.612% * 78.3350% (0.75  10.0   7.71 226.85) =  94.228%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.823% * 21.4329% (0.20  10.0   4.94  16.07) =   5.772%  kept
          HN    ASP- 113 - HA    GLU- 114   5.12 +/- 0.12   2.075% *  0.0066% (0.06   1.0   0.02  23.34) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.67 +/- 0.25   0.435% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  11.55 +/- 2.61   0.028% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  12.75 +/- 1.04   0.010% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.77 +/- 1.55   0.010% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.92 +/- 0.94   0.006% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.18 +/- 1.47   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.778, support = 7.43, residual support = 226.8:
          HN    LEU  115 - HG    LEU  115   3.64 +/- 0.81  93.463% * 99.4395% (0.78   7.43 226.85) =  99.994%  kept
          HN    ASP- 113 - HG    LEU  115   6.06 +/- 1.09   4.764% *  0.0830% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   8.06 +/- 0.88   1.594% *  0.0909% (0.26   0.02   1.45) =   0.002%
          HN    PHE   97 - HG    LEU  115  13.57 +/- 3.03   0.158% *  0.2676% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  17.74 +/- 1.99   0.015% *  0.0909% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.85 +/- 2.13   0.005% *  0.0282% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.29 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  10.75 +/- 1.64 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.76 A violated in 20 structures by 6.99 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.824, support = 1.83, residual support = 5.69:
          QD    PHE   55 - QD1   LEU  115   4.70 +/- 1.85  48.932% * 67.8907% (0.95   1.99   5.43) =  67.980%  kept
          QE    PHE   95 - QD1   LEU  115   4.52 +/- 2.37  51.006% * 30.6772% (0.57   1.50   6.24) =  32.020%  kept
          HN    LEU   67 - QD1   LEU  115  12.23 +/- 1.74   0.053% *  0.1430% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  17.15 +/- 2.44   0.005% *  0.7082% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  19.38 +/- 2.45   0.002% *  0.3801% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.48 +/- 2.14   0.002% *  0.2009% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 3 structures by 0.32 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.4, residual support = 30.0:
          QD    PHE   59 - QD1   LEU  115   3.13 +/- 0.79  99.878% * 98.6977% (0.95   4.40  30.00) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  11.99 +/- 1.94   0.111% *  0.3961% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.91 +/- 3.11   0.006% *  0.4576% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.20 +/- 2.29   0.004% *  0.4486% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.08, residual support = 6.24:
          QD    PHE   95 - QD2   LEU  115   5.55 +/- 2.24  95.992% * 99.4089% (0.84   1.08   6.24) =  99.975%  kept
          HN    ALA   47 - QD2   LEU  115  11.71 +/- 1.65   4.008% *  0.5911% (0.27   0.02   0.02) =   0.025%
    Distance limit 3.38 A violated in 14 structures by 2.35 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.86, residual support = 30.0:
          QE    PHE   59 - QD2   LEU  115   3.01 +/- 0.77  84.417% * 82.8156% (0.89   2.94  30.00) =  96.603%  kept
          HN    PHE   59 - QD2   LEU  115   5.03 +/- 1.05  14.975% * 16.4076% (0.93   0.56  30.00) =   3.395%  kept
          HN    HIS  122 - QD2   LEU  115   7.97 +/- 0.77   0.470% *  0.2738% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  66 - QD2   LEU  115  10.27 +/- 1.38   0.130% *  0.2738% (0.43   0.02   0.02) =   0.000%
          HH2   TRP   87 - QD2   LEU  115  17.68 +/- 2.96   0.008% *  0.2292% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.95, residual support = 14.6:
        T QD1   ILE  119 - HA    GLN  116   3.36 +/- 0.57  99.053% * 99.5742% (0.61 10.00   3.95  14.63) =  99.999%  kept
          QD1   LEU   67 - HA    GLN  116  11.90 +/- 2.89   0.620% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.65 +/- 2.86   0.092% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.12 +/- 0.87   0.134% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  14.03 +/- 2.22   0.054% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  15.25 +/- 2.99   0.034% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  18.85 +/- 2.39   0.006% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  17.88 +/- 1.64   0.007% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 2 structures by 0.30 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 6.29, residual support = 97.9:
          QD2   LEU  115 - HA    GLN  116   2.82 +/- 1.10  80.031% * 98.5608% (0.92   6.29  97.96) =  99.921%  kept
          QD1   LEU   63 - HA    GLN  116   6.54 +/- 2.52  17.802% *  0.3326% (0.98   0.02   0.02) =   0.075%
          QD2   LEU   63 - HA    GLN  116   7.35 +/- 2.34   2.153% *  0.1521% (0.45   0.02   0.02) =   0.004%
          QD1   LEU   73 - HA    GLN  116  16.87 +/- 3.00   0.008% *  0.3326% (0.98   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  14.24 +/- 2.68   0.005% *  0.2331% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.48 +/- 1.49   0.000% *  0.3043% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  21.35 +/- 1.62   0.000% *  0.0846% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 2 structures by 0.23 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.56, residual support = 14.6:
          HN    ILE  119 - HA    GLN  116   3.39 +/- 0.24  99.995% * 97.2214% (0.57   2.56  14.63) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  21.49 +/- 2.02   0.002% *  1.2953% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  20.78 +/- 1.44   0.002% *  0.4578% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.13 +/- 2.66   0.000% *  0.7599% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  27.15 +/- 3.25   0.000% *  0.2656% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.94, residual support = 113.5:
      O   HN    GLN  116 - HA    GLN  116   2.78 +/- 0.05  93.213% * 90.2823% (0.98  10.0   6.97 114.26) =  99.296%  kept
          HN    THR  118 - HA    GLN  116   4.39 +/- 0.22   6.242% *  9.5473% (0.80   1.0   2.59   0.02) =   0.703%  kept
          HN    GLU- 114 - HA    GLN  116   6.90 +/- 0.25   0.414% *  0.0769% (0.84   1.0   0.02   0.29) =   0.000%
          HN    PHE   60 - HA    GLN  116   8.85 +/- 1.10   0.128% *  0.0521% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  18.53 +/- 3.45   0.002% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.40 +/- 0.38  99.473% * 66.5564% (0.49  1.00   0.75   1.50) =  99.959%  kept
          HA    ILE   56 - HB2   GLN  116   9.24 +/- 0.91   0.365% *  3.5189% (0.97  1.00   0.02   0.02) =   0.019%
        T HA    PRO   58 - HB2   GLN  116  12.42 +/- 1.41   0.077% * 14.9903% (0.41 10.00   0.02   0.02) =   0.017%
          HA    LEU  123 - HB2   GLN  116  11.73 +/- 0.71   0.078% *  3.6382% (1.00  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HB2   GLN  116  21.59 +/- 2.55   0.003% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.39 +/- 2.59   0.003% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  23.95 +/- 2.25   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  28.72 +/- 2.41   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  30.02 +/- 2.16   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.01, residual support = 97.8:
          QD2   LEU  115 - HB2   GLN  116   3.76 +/- 1.23  81.035% * 97.5321% (0.45   7.01  97.96) =  99.877%  kept
          QD1   LEU   63 - HB2   GLN  116   8.08 +/- 2.36  14.375% *  0.4966% (0.80   0.02   0.02) =   0.090%
          QD2   LEU   63 - HB2   GLN  116   9.00 +/- 2.33   4.515% *  0.5725% (0.92   0.02   0.02) =   0.033%
          QD1   LEU   73 - HB2   GLN  116  18.34 +/- 2.63   0.024% *  0.4966% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN  116  15.50 +/- 2.16   0.024% *  0.1381% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.05 +/- 1.73   0.008% *  0.2328% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.37 +/- 2.03   0.012% *  0.1381% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  21.47 +/- 1.61   0.002% *  0.2550% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  21.57 +/- 1.82   0.003% *  0.1381% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 4 structures by 0.46 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 97.9:
          QD2   LEU  115 - HG2   GLN  116   3.69 +/- 1.67  79.741% * 98.7331% (1.00   6.64  97.96) =  99.950%  kept
          QD1   LEU   63 - HG2   GLN  116   7.80 +/- 2.67  13.803% *  0.2482% (0.84   0.02   0.02) =   0.044%
          QD2   LEU   63 - HG2   GLN  116   8.50 +/- 2.85   6.429% *  0.0741% (0.25   0.02   0.02) =   0.006%
          QD1   LEU  104 - HG2   GLN  116  15.60 +/- 2.49   0.016% *  0.2665% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.25 +/- 3.06   0.006% *  0.2482% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.65 +/- 1.61   0.003% *  0.2965% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  22.50 +/- 1.71   0.002% *  0.1332% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 4 structures by 0.70 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.38, residual support = 114.3:
      O   HE21  GLN  116 - HG2   GLN  116   2.90 +/- 0.65  90.176% * 99.6673% (0.65  10.0   4.38 114.26) =  99.995%  kept
          HN    ALA  120 - HG2   GLN  116   4.98 +/- 0.76   9.758% *  0.0428% (0.28   1.0   0.02   0.53) =   0.005%
          HN    ALA   57 - HG2   GLN  116  11.06 +/- 1.60   0.064% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  21.95 +/- 3.52   0.001% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.91 +/- 2.80   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.803, support = 6.97, residual support = 112.9:
          HN    GLN  116 - HG2   GLN  116   3.56 +/- 0.43  90.769% * 86.4727% (0.80   7.04 114.26) =  98.839%  kept
          HN    THR  118 - HG2   GLN  116   5.93 +/- 0.66   7.061% * 13.0071% (0.98   0.87   0.02) =   1.157%  kept
          HN    PHE   60 - HG2   GLN  116   9.93 +/- 1.68   0.687% *  0.3006% (0.98   0.02   0.02) =   0.003%
          HN    GLU- 114 - HG2   GLN  116   7.21 +/- 0.71   1.482% *  0.1046% (0.34   0.02   0.29) =   0.002%
          HN    GLU-  15 - HG2   GLN  116  24.57 +/- 2.59   0.001% *  0.1151% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.64, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.06 +/- 1.77  44.636% * 15.3326% (0.76   0.02   0.02) =  61.576%  kept
          QD    PHE   55 - HB2   GLN  116   8.82 +/- 1.92  51.403% *  6.8436% (0.34   0.02   0.02) =  31.651%  kept
          HN    LEU   67 - HB2   GLN  116  15.61 +/- 2.27   3.384% * 20.0629% (1.00   0.02   0.02) =   6.109%  kept
          HD1   TRP   49 - HB2   GLN  116  20.89 +/- 2.37   0.232% * 16.7579% (0.84   0.02   0.02) =   0.350%
          HD2   HIS   22 - HB2   GLN  116  24.75 +/- 2.81   0.118% * 13.7814% (0.69   0.02   0.02) =   0.146%
          HN    THR   23 - HB2   GLN  116  27.18 +/- 2.07   0.058% * 16.0651% (0.80   0.02   0.02) =   0.085%
          HE3   TRP   27 - HB2   GLN  116  23.81 +/- 1.74   0.136% *  5.5782% (0.28   0.02   0.02) =   0.068%
          HD21  ASN   35 - HB2   GLN  116  30.84 +/- 2.29   0.031% *  5.5782% (0.28   0.02   0.02) =   0.016%
    Distance limit 3.71 A violated in 17 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.58, residual support = 114.3:
      O   HN    GLN  116 - HB2   GLN  116   2.09 +/- 0.08  99.216% * 99.7303% (0.98  10.0   7.58 114.26) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.39 +/- 0.43   0.403% *  0.0850% (0.84   1.0   0.02   0.29) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.38 +/- 0.27   0.371% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.35 +/- 1.24   0.009% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.70 +/- 2.87   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 27.6:
          HN    SER  117 - HB2   GLN  116   3.17 +/- 0.26  99.998% * 99.5576% (0.98   4.86  27.55) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.87 +/- 2.42   0.001% *  0.3493% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  28.24 +/- 2.09   0.000% *  0.0931% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 27.6:
      O   HN    SER  117 - HA    GLN  116   3.60 +/- 0.03  99.994% * 99.8922% (0.98  10.0   4.86  27.55) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  19.63 +/- 2.63   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  27.57 +/- 1.79   0.001% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.54, residual support = 6.83:
        T QB    ALA  120 - HA    SER  117   2.55 +/- 0.38  98.200% * 99.2618% (0.92 10.00   2.54   6.83) = 100.000%  kept
          HD2   LYS+ 121 - HA    SER  117   6.40 +/- 1.43   1.512% *  0.0188% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    SER  117   8.19 +/- 0.93   0.139% *  0.0993% (0.92  1.00   0.02   1.45) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.15 +/- 0.28   0.135% *  0.0404% (0.38  1.00   0.02   1.45) =   0.000%
          HG    LEU   67 - HA    SER  117  16.20 +/- 3.58   0.006% *  0.0523% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  17.88 +/- 3.20   0.002% *  0.1075% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  16.95 +/- 3.35   0.004% *  0.0404% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.40 +/- 1.36   0.000% *  0.2990% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.77 +/- 1.38   0.001% *  0.0239% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  20.81 +/- 1.71   0.001% *  0.0566% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.482, support = 1.5, residual support = 18.3:
          HE21  GLN  116 - HA    SER  117   5.43 +/- 1.15  15.978% * 84.6538% (0.65   2.10  27.55) =  55.329%  kept
          HN    ALA  120 - HA    SER  117   3.62 +/- 0.24  83.998% * 13.0003% (0.28   0.75   6.83) =  44.670%  kept
          HN    ALA   57 - HA    SER  117  14.60 +/- 1.18   0.022% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  22.15 +/- 4.06   0.002% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  29.12 +/- 2.87   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.6, residual support = 15.2:
      O   HN    SER  117 - HA    SER  117   2.76 +/- 0.03  99.999% * 99.9049% (0.57  10.0   3.60  15.24) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.85 +/- 2.30   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  24.94 +/- 1.45   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.228, support = 0.0198, residual support = 0.0198:
          HN    LYS+  81 - QB    SER   85   7.14 +/- 0.27  50.790% *  3.4992% (0.12   0.02   0.02) =  36.422%  kept
          QD    PHE   55 - QB    SER  117  10.58 +/- 1.42   6.452% * 14.4446% (0.49   0.02   0.02) =  19.099%  kept
          QE    PHE   95 - QB    SER  117   8.68 +/- 1.08  19.198% *  4.5788% (0.15   0.02   0.02) =  18.015%  kept
          HN    LYS+  81 - QB    SER   48   9.88 +/- 1.69  10.583% *  5.8981% (0.20   0.02   0.02) =  12.791%  kept
          QD    PHE   60 - QB    SER  117  11.63 +/- 1.21   3.339% * 12.2000% (0.41   0.02   0.02) =   8.348%  kept
          QD    PHE   60 - QB    SER   48  12.05 +/- 1.29   2.558% *  3.1728% (0.11   0.02   0.02) =   1.663%  kept
          QD    PHE   55 - QB    SER   48  13.20 +/- 1.08   1.481% *  3.7566% (0.13   0.02   0.02) =   1.140%  kept
          HE3   TRP   27 - QB    SER   85  13.10 +/- 0.64   1.377% *  2.5923% (0.09   0.02   0.02) =   0.732%  kept
          QE    PHE   95 - QB    SER   48  12.37 +/- 1.75   2.462% *  1.1908% (0.04   0.02   0.02) =   0.601%  kept
          HE3   TRP   27 - QB    SER   48  15.72 +/- 1.33   0.475% *  4.3694% (0.15   0.02   0.02) =   0.425%
          HE3   TRP   27 - QB    SER  117  20.74 +/- 1.23   0.088% * 16.8009% (0.57   0.02   0.02) =   0.304%
          QD    PHE   60 - QB    SER   85  16.45 +/- 1.33   0.427% *  1.8824% (0.06   0.02   0.02) =   0.165%
          HN    LYS+  81 - QB    SER  117  24.44 +/- 1.27   0.031% * 22.6789% (0.76   0.02   0.02) =   0.146%
          QE    PHE   95 - QB    SER   85  14.97 +/- 0.61   0.605% *  0.7065% (0.02   0.02   0.02) =   0.088%
          QD    PHE   55 - QB    SER   85  19.38 +/- 1.20   0.135% *  2.2287% (0.08   0.02   0.02) =   0.062%
    Distance limit 3.77 A violated in 20 structures by 2.58 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.8, residual support = 37.7:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.80  37.71) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.904, support = 1.92, residual support = 8.69:
          QG1   VAL  107 - HB    THR  118   2.92 +/- 2.26  85.707% * 58.2665% (0.98   1.59   5.09) =  89.906%  kept
          HG13  ILE  119 - HB    THR  118   4.78 +/- 0.53  13.976% * 40.1038% (0.22   4.83  40.76) =  10.091%  kept
          HD3   LYS+ 112 - HB    THR  118   9.52 +/- 1.42   0.315% *  0.6236% (0.84   0.02   0.02) =   0.004%
          QG1   VAL   24 - HB    THR  118  21.48 +/- 1.45   0.001% *  0.6892% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  20.79 +/- 1.48   0.001% *  0.1308% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  21.51 +/- 2.90   0.000% *  0.1862% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.561, support = 1.51, residual support = 9.15:
          QE    PHE   59 - HB    THR  118   4.60 +/- 1.87  77.036% * 37.9855% (0.45   1.67  11.02) =  75.973%  kept
          HN    HIS  122 - HB    THR  118   6.94 +/- 0.23  17.950% * 47.9297% (0.92   1.03   2.63) =  22.337%  kept
          HN    PHE   59 - HB    THR  118   9.48 +/- 1.77   4.924% * 13.2071% (0.84   0.31  11.02) =   1.688%  kept
          HH2   TRP   87 - HB    THR  118  19.19 +/- 3.24   0.090% *  0.8777% (0.87   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 11 structures by 0.98 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.58, residual support = 37.7:
      O   HN    THR  118 - HB    THR  118   2.15 +/- 0.15  99.141% * 99.7459% (0.98  10.0   3.58  37.71) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.08 +/- 0.49   0.668% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.50 +/- 0.61   0.149% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.18 +/- 1.55   0.043% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.80 +/- 1.42   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.83, residual support = 37.7:
      O T QG2   THR  118 - HA    THR  118   2.62 +/- 0.15 100.000% *100.0000% (0.14  10.0 10.00   3.83  37.71) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.654, support = 2.66, residual support = 16.9:
          QG1   VAL  107 - HA    THR  118   4.61 +/- 2.12  84.932% * 25.7684% (0.88  1.00   1.59   5.09) =  66.821%  kept
        T HG13  ILE  119 - HA    THR  118   6.18 +/- 0.43  14.782% * 73.5108% (0.20 10.00   4.82  40.76) =  33.177%  kept
          HD3   LYS+ 112 - HA    THR  118  11.74 +/- 1.22   0.274% *  0.2758% (0.75  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HA    THR  118  22.53 +/- 1.57   0.003% *  0.3048% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  21.56 +/- 3.43   0.005% *  0.0823% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  21.66 +/- 1.78   0.004% *  0.0578% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.59 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.438, support = 1.82, residual support = 5.81:
        T HB3   LYS+ 121 - HA    THR  118   3.51 +/- 0.44  54.700% * 62.5308% (0.22 10.00   1.59   5.81) =  67.775%  kept
          HD2   LYS+ 121 - HA    THR  118   3.75 +/- 1.32  45.057% * 36.0938% (0.89  1.00   2.31   5.81) =  32.224%  kept
          QD    LYS+  66 - HA    THR  118  12.56 +/- 2.17   0.058% *  0.2294% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.41 +/- 1.42   0.108% *  0.0553% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  12.53 +/- 4.29   0.041% *  0.0788% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.41 +/- 2.00   0.009% *  0.3159% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.04 +/- 2.15   0.004% *  0.2639% (0.75  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  14.47 +/- 3.72   0.013% *  0.0703% (0.20  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.59 +/- 1.76   0.001% *  0.3131% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  16.85 +/- 1.94   0.008% *  0.0487% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.683, support = 0.0199, residual support = 40.4:
        T HB    ILE  119 - HA    THR  118   5.86 +/- 0.13  91.581% * 57.0728% (0.69 10.00   0.02  40.76) =  99.032%  kept
          HB    VAL  108 - HA    THR  118  10.86 +/- 1.50   3.765% *  7.0645% (0.85  1.00   0.02   0.02) =   0.504%  kept
          HB2   PRO   93 - HA    THR  118  12.32 +/- 2.42   2.973% *  7.0645% (0.85  1.00   0.02   0.02) =   0.398%
          HG2   PRO   58 - HA    THR  118  13.71 +/- 2.09   1.026% *  1.3079% (0.16  1.00   0.02   0.02) =   0.025%
          HB2   ARG+  54 - HA    THR  118  19.07 +/- 2.12   0.120% *  7.3202% (0.88  1.00   0.02   0.02) =   0.017%
          HB3   GLU- 100 - HA    THR  118  20.44 +/- 4.28   0.080% *  5.1298% (0.62  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    THR  118  21.23 +/- 2.66   0.050% *  5.7073% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   PRO   68 - HA    THR  118  17.04 +/- 2.81   0.246% *  1.1523% (0.14  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - HA    THR  118  19.35 +/- 2.40   0.108% *  1.3079% (0.16  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    THR  118  22.89 +/- 2.61   0.032% *  3.3482% (0.40  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  25.54 +/- 2.38   0.016% *  1.6626% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    THR  118  33.60 +/- 1.79   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 20 structures by 2.05 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 = 40.7:
        T HG12  ILE  119 - HA    THR  118   5.16 +/- 0.21  99.287% * 44.9828% (0.40 10.00   0.02  40.76) =  99.856%  kept
          HB2   ASP-  44 - HA    THR  118  13.77 +/- 1.91   0.349% *  9.4912% (0.85  1.00   0.02   0.02) =   0.074%
          HB3   PHE   72 - HA    THR  118  15.08 +/- 2.59   0.215% *  8.7032% (0.78  1.00   0.02   0.02) =   0.042%
          QG    GLN   90 - HA    THR  118  17.51 +/- 2.15   0.082% *  8.0341% (0.72  1.00   0.02   0.02) =   0.015%
          QG    GLU-  15 - HA    THR  118  19.31 +/- 2.58   0.046% *  9.9446% (0.89  1.00   0.02   0.02) =   0.010%
          QG    GLU-  14 - HA    THR  118  23.50 +/- 2.04   0.012% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.69 +/- 1.87   0.003% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  26.93 +/- 2.38   0.005% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 20 structures by 1.38 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.11, residual support = 37.7:
      O T HB    THR  118 - HA    THR  118   3.02 +/- 0.04  99.749% * 99.8099% (0.72  10.0 10.00   3.11  37.71) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.27 +/- 2.03   0.245% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  17.37 +/- 2.04   0.003% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  19.78 +/- 3.70   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  23.06 +/- 3.43   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.67 +/- 2.17   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.84, support = 0.0198, residual support = 10.9:
          QD    PHE   59 - HA    THR  118   7.49 +/- 1.07  99.016% * 25.6201% (0.85   0.02  11.02) =  99.055%  kept
          HE21  GLN   30 - HA    THR  118  21.04 +/- 2.98   0.400% * 26.1376% (0.87   0.02   0.02) =   0.408%
          HH2   TRP   49 - HA    THR  118  20.44 +/- 3.01   0.403% * 22.6222% (0.75   0.02   0.02) =   0.356%
          HD1   TRP   27 - HA    THR  118  23.09 +/- 2.34   0.180% * 25.6201% (0.85   0.02   0.02) =   0.180%
    Distance limit 3.42 A violated in 20 structures by 4.07 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.47, support = 0.0199, residual support = 0.0199:
          HN    LEU  123 - HA    THR  118   7.04 +/- 0.25  99.541% * 43.4534% (0.47   0.02   0.02) =  99.639%  kept
          HZ2   TRP   49 - HA    THR  118  20.01 +/- 2.39   0.342% * 40.2018% (0.44   0.02   0.02) =   0.317%
          HE21  GLN   17 - HA    THR  118  22.36 +/- 2.29   0.117% * 16.3448% (0.18   0.02   0.02) =   0.044%
    Distance limit 3.80 A violated in 20 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.41, residual support = 40.8:
      O   HN    ILE  119 - HA    THR  118   3.58 +/- 0.05  99.989% * 99.6357% (0.51  10.0   5.41  40.76) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.00 +/- 1.99   0.003% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  18.95 +/- 2.16   0.006% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  24.34 +/- 3.09   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  23.97 +/- 3.64   0.001% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.72, residual support = 37.7:
      O   HN    THR  118 - HA    THR  118   2.83 +/- 0.04  99.456% * 99.6520% (0.51  10.0   3.72  37.71) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.87 +/- 0.25   0.495% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.40 +/- 1.73   0.049% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  23.25 +/- 2.16   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.16, residual support = 37.8:
      O T HA    THR  118 - HB    THR  118   3.02 +/- 0.04  92.167% * 73.6859% (0.38  10.0 10.00   3.11  37.71) =  97.628%  kept
          HA    ILE  119 - HB    THR  118   4.77 +/- 0.24   6.370% * 25.8956% (0.53   1.0  1.00   5.01  40.76) =   2.371%  kept
          HA2   GLY  109 - HB    THR  118  10.08 +/- 1.80   1.391% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HB    THR  118  11.04 +/- 1.61   0.067% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.28 +/- 1.47   0.002% *  0.1500% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  18.72 +/- 2.03   0.002% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.32 +/- 1.87   0.001% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.542, support = 3.98, residual support = 16.4:
          QG1   VAL  107 - QG2   THR  118   2.86 +/- 2.05  81.660% * 32.2378% (0.51   3.25   5.09) =  68.334%  kept
          HG13  ILE  119 - QG2   THR  118   3.94 +/- 0.84  18.268% * 66.7783% (0.62   5.55  40.76) =  31.666%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.56 +/- 1.24   0.065% *  0.3378% (0.87   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   THR  118  14.02 +/- 1.30   0.005% *  0.0779% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  16.44 +/- 3.09   0.001% *  0.2542% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  17.09 +/- 1.61   0.001% *  0.3139% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.261, support = 1.61, residual support = 4.52:
        T HB3   ASP- 105 - QG2   THR  118   5.50 +/- 4.12  62.739% * 77.7078% (0.25 10.00   1.62   4.60) =  95.572%  kept
          QB    LYS+ 106 - QG2   THR  118   5.98 +/- 2.60  13.137% * 14.6917% (0.51  1.00   1.51   3.08) =   3.784%  kept
          HB3   PRO   58 - QG2   THR  118  10.80 +/- 2.25   4.779% *  5.6060% (0.62  1.00   0.47   0.02) =   0.525%  kept
          HB    ILE   56 - QG2   THR  118   8.43 +/- 1.69  18.146% *  0.3255% (0.85  1.00   0.02   0.02) =   0.116%
          HB2   MET   92 - QG2   THR  118  12.53 +/- 1.20   0.368% *  0.2985% (0.78  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   THR  118  14.51 +/- 1.79   0.258% *  0.0858% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  12.50 +/- 2.30   0.261% *  0.0681% (0.18  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   THR  118  11.30 +/- 3.76   0.174% *  0.0766% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  16.24 +/- 2.31   0.028% *  0.3321% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  15.30 +/- 1.56   0.056% *  0.1543% (0.40  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  17.65 +/- 3.37   0.013% *  0.3433% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  18.06 +/- 1.50   0.020% *  0.1810% (0.47  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.84 +/- 2.23   0.021% *  0.1291% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 6 structures by 1.04 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.614, support = 3.06, residual support = 17.6:
        T HB2   ASP- 105 - QG2   THR  118   4.89 +/- 4.05  49.253% * 64.2277% (0.51 10.00   1.62   4.60) =  64.023%  kept
          HG12  ILE  119 - QG2   THR  118   3.13 +/- 0.50  50.609% * 35.1242% (0.80  1.00   5.61  40.76) =  35.976%  kept
          HB2   ASP-  44 - QG2   THR  118   9.30 +/- 1.63   0.080% *  0.0524% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.65 +/- 2.04   0.033% *  0.0680% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  13.45 +/- 1.32   0.009% *  0.1289% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  13.28 +/- 1.80   0.006% *  0.0791% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.76 +/- 1.92   0.004% *  0.0388% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  16.37 +/- 3.36   0.002% *  0.0388% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.81 +/- 1.54   0.002% *  0.0476% (0.31  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.00 +/- 1.59   0.001% *  0.0574% (0.37  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  20.50 +/- 2.09   0.000% *  0.1369% (0.88  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.374, support = 4.23, residual support = 38.5:
      O T HA    THR  118 - QG2   THR  118   2.62 +/- 0.15  77.973% * 41.5367% (0.34  10.0 10.00   3.83  37.71) =  72.606%  kept
        T HA    ILE  119 - QG2   THR  118   3.35 +/- 0.25  20.986% * 58.2274% (0.47   1.0 10.00   5.30  40.76) =  27.394%  kept
          HA2   GLY  109 - QG2   THR  118   9.37 +/- 1.61   0.940% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   THR  118   9.66 +/- 1.87   0.094% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.36 +/- 1.73   0.004% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  15.02 +/- 2.13   0.003% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.18 +/- 1.69   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.8, residual support = 37.7:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  97.450% * 99.8099% (0.72  10.0 10.00   3.80  37.71) =  99.999%  kept
          HA    PHE   60 - QG2   THR  118   6.59 +/- 1.94   2.545% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QG2   THR  118  12.86 +/- 1.99   0.003% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  15.31 +/- 2.91   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.97 +/- 2.72   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.27 +/- 1.70   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.986, residual support = 2.63:
          HD2   HIS  122 - QG2   THR  118   3.31 +/- 0.09  99.344% * 96.5082% (0.90   0.99   2.63) =  99.990%  kept
          HE22  GLN  116 - QG2   THR  118   8.63 +/- 0.82   0.382% *  1.9527% (0.89   0.02   0.02) =   0.008%
          QD    PHE   45 - QG2   THR  118   9.44 +/- 1.71   0.268% *  0.7345% (0.34   0.02   0.02) =   0.002%
          HE22  GLN   17 - QG2   THR  118  17.47 +/- 1.71   0.006% *  0.8046% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.01, residual support = 11.0:
          QD    PHE   59 - QG2   THR  118   5.03 +/- 1.44  99.060% * 98.5729% (0.85   4.01  11.02) =  99.995%  kept
          HE21  GLN   30 - QG2   THR  118  15.58 +/- 2.66   0.531% *  0.5015% (0.87   0.02   0.02) =   0.003%
          HD1   TRP   27 - QG2   THR  118  17.28 +/- 2.25   0.231% *  0.4916% (0.85   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  15.60 +/- 2.16   0.179% *  0.4340% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 11 structures by 1.66 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.3, residual support = 40.8:
        T QG2   THR  118 - HA    ILE  119   3.35 +/- 0.25 100.000% *100.0000% (0.57 10.00   5.30  40.76) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.494, support = 4.58, residual support = 40.9:
          QB    ALA  120 - HA    ILE  119   5.00 +/- 0.02  55.435% * 56.3767% (0.45   5.27  55.80) =  70.996%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.92 +/- 1.22  30.472% * 41.8110% (0.61   2.89   4.40) =  28.943%  kept
          HG    LEU  115 - HA    ILE  119   7.81 +/- 1.19   7.979% *  0.2138% (0.45   0.02   9.73) =   0.039%
          QD    LYS+  66 - HA    ILE  119   9.44 +/- 2.94   4.932% *  0.1189% (0.25   0.02   0.02) =   0.013%
          HB3   LEU   40 - HA    ILE  119  13.58 +/- 4.61   0.802% *  0.3275% (0.69   0.02   0.02) =   0.006%
          HG2   LYS+  65 - HA    ILE  119  12.73 +/- 1.97   0.285% *  0.3275% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  16.12 +/- 2.42   0.073% *  0.4602% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  19.41 +/- 2.23   0.021% *  0.3644% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 12 structures by 0.83 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.941, support = 0.0199, residual support = 20.2:
          QD    PHE   59 - HA    ILE  119   5.84 +/- 0.78  99.474% * 25.6201% (0.95   0.02  20.26) =  99.502%  kept
          HH2   TRP   49 - HA    ILE  119  20.55 +/- 3.16   0.271% * 22.6222% (0.84   0.02   0.02) =   0.239%
          HE21  GLN   30 - HA    ILE  119  19.42 +/- 3.66   0.204% * 26.1376% (0.97   0.02   0.02) =   0.208%
          HD1   TRP   27 - HA    ILE  119  23.00 +/- 2.69   0.051% * 25.6201% (0.95   0.02   0.02) =   0.051%
    Distance limit 3.21 A violated in 20 structures by 2.62 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.76, residual support = 260.9:
      O   HN    ILE  119 - HA    ILE  119   2.84 +/- 0.02  99.997% * 99.7485% (0.98  10.0   8.76 260.92) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.34 +/- 2.28   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  20.19 +/- 2.19   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  23.04 +/- 4.39   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.43 +/- 3.78   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.209, support = 5.95, residual support = 52.8:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.01  86.362% * 72.3509% (0.18  10.0   6.20  55.80) =  94.618%  kept
          HN    LEU  123 - HA    ILE  119   4.98 +/- 0.24  13.239% * 26.8311% (0.80   1.0   1.62   0.23) =   5.379%  kept
          HN    ALA  124 - HA    ILE  119   8.94 +/- 0.36   0.393% *  0.4049% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  19.01 +/- 2.63   0.006% *  0.4131% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.72, residual support = 14.6:
          HA    GLN  116 - HB    ILE  119   2.78 +/- 0.64  99.983% * 96.7999% (0.84   2.72  14.63) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  16.29 +/- 3.66   0.004% *  0.7113% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  15.49 +/- 2.12   0.005% *  0.3878% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.33 +/- 2.72   0.005% *  0.2275% (0.27   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  21.76 +/- 2.11   0.002% *  0.1137% (0.13   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  23.70 +/- 3.82   0.000% *  0.4768% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.86 +/- 3.23   0.000% *  0.5352% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.00 +/- 2.69   0.000% *  0.4173% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  28.99 +/- 1.97   0.000% *  0.3305% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.01, residual support = 55.5:
          HN    ALA  120 - HB    ILE  119   2.57 +/- 0.10  89.981% * 92.7983% (0.53   5.04  55.80) =  99.334%  kept
          HE21  GLN  116 - HB    ILE  119   5.05 +/- 1.50   9.318% *  5.9900% (0.22   0.79  14.63) =   0.664%  kept
          HN    LEU  123 - HB    ILE  119   5.95 +/- 0.27   0.639% *  0.1875% (0.27   0.02   0.23) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.43 +/- 0.51   0.043% *  0.4865% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.85 +/- 1.13   0.019% *  0.1202% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  19.83 +/- 2.54   0.001% *  0.4174% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.55, residual support = 260.9:
      O   HN    ILE  119 - HB    ILE  119   2.43 +/- 0.15  99.999% * 99.7485% (0.85  10.0   7.55 260.92) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.49 +/- 1.98   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  20.96 +/- 1.72   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.40 +/- 3.67   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.61 +/- 3.03   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 55.8:
          HA    ALA  120 - QG2   ILE  119   3.64 +/- 0.24  96.437% * 94.9065% (0.57   3.85  55.80) =  99.988%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.63 +/- 0.20   2.722% *  0.1724% (0.20   0.02   4.40) =   0.005%
          HA    LYS+  65 - QG2   ILE  119   9.48 +/- 2.05   0.512% *  0.8240% (0.95   0.02   0.02) =   0.005%
          HD2   PRO   52 - QG2   ILE  119  15.57 +/- 2.00   0.114% *  0.6657% (0.76   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   ILE  119  12.89 +/- 2.45   0.071% *  0.7812% (0.90   0.02   0.02) =   0.001%
          HB    THR   94 - QG2   ILE  119  13.44 +/- 1.45   0.046% *  0.2172% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.41 +/- 1.99   0.058% *  0.1344% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  17.58 +/- 1.64   0.015% *  0.2971% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.27 +/- 1.89   0.015% *  0.2689% (0.31   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.39 +/- 1.57   0.003% *  0.7812% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  20.27 +/- 1.64   0.004% *  0.4583% (0.53   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  22.12 +/- 3.14   0.002% *  0.4932% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.59, support = 5.46, residual support = 52.8:
          HN    ALA  120 - QG2   ILE  119   3.44 +/- 0.21  65.163% * 80.7184% (0.61   5.63  55.80) =  94.553%  kept
          HN    LEU  123 - QG2   ILE  119   4.40 +/- 0.34  16.361% * 18.3676% (0.31   2.52   0.23) =   5.402%  kept
          HE21  GLN  116 - QG2   ILE  119   5.25 +/- 1.55  16.728% *  0.1178% (0.25   0.02  14.63) =   0.035%
          HN    ALA  124 - QG2   ILE  119   6.78 +/- 0.56   1.294% *  0.3783% (0.80   0.02   0.02) =   0.009%
          HN    ALA   57 - QG2   ILE  119   9.10 +/- 1.19   0.439% *  0.0935% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   17 - QG2   ILE  119  15.07 +/- 2.49   0.016% *  0.3245% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.88, residual support = 260.9:
          HN    ILE  119 - QG2   ILE  119   3.70 +/- 0.03  99.968% * 99.2751% (0.80   7.88 260.92) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  18.15 +/- 1.70   0.008% *  0.3036% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  20.23 +/- 3.56   0.006% *  0.3139% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.42 +/- 2.06   0.018% *  0.1073% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.872, support = 2.11, residual support = 9.04:
          QD2   LEU  115 - HG12  ILE  119   3.28 +/- 0.73  76.333% * 77.1261% (0.90   2.21   9.73) =  92.540%  kept
          QD1   LEU   63 - HG12  ILE  119   4.77 +/- 1.85  23.433% * 20.2484% (0.57   0.92   0.46) =   7.458%  kept
          QD1   LEU   73 - HG12  ILE  119  14.26 +/- 3.17   0.142% *  0.4411% (0.57   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG12  ILE  119  12.33 +/- 3.02   0.061% *  0.7792% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HG12  ILE  119  18.15 +/- 1.52   0.004% *  0.7193% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.55 +/- 1.40   0.023% *  0.1202% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  19.16 +/- 1.92   0.003% *  0.5658% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 2.05, residual support = 8.45:
          QD2   LEU  115 - HG13  ILE  119   3.62 +/- 1.16  59.271% * 78.9066% (0.90   2.25   9.73) =  86.197%  kept
          QD1   LEU   63 - HG13  ILE  119   4.63 +/- 2.24  40.569% * 18.4580% (0.57   0.83   0.46) =  13.801%  kept
          QD1   LEU  104 - HG13  ILE  119  12.70 +/- 3.13   0.066% *  0.7821% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  14.19 +/- 3.37   0.050% *  0.4428% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  18.23 +/- 1.79   0.007% *  0.7219% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.97 +/- 1.48   0.032% *  0.1207% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  19.44 +/- 2.05   0.005% *  0.5679% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.16 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  10.95 +/- 3.18 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 20 structures by 7.39 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 20.3:
          QD    PHE   59 - HG13  ILE  119   3.59 +/- 0.78  99.961% * 98.3175% (0.95   3.39  20.26) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  19.24 +/- 3.41   0.019% *  0.5912% (0.97   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  18.53 +/- 2.66   0.015% *  0.5117% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  22.58 +/- 2.43   0.005% *  0.5795% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 2 structures by 0.30 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.29, residual support = 260.9:
          HN    ILE  119 - HG13  ILE  119   3.23 +/- 0.47  99.989% * 99.2168% (0.80   7.29 260.92) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  19.37 +/- 2.14   0.004% *  0.3281% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  18.40 +/- 2.15   0.006% *  0.1160% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  24.04 +/- 3.66   0.001% *  0.3392% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 20.3:
          QD    PHE   59 - HG12  ILE  119   3.55 +/- 0.92  99.954% * 99.0073% (0.84   3.89  20.26) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  19.49 +/- 3.01   0.025% *  0.2963% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  22.38 +/- 2.14   0.006% *  0.5085% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  18.20 +/- 2.69   0.014% *  0.1879% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 2 structures by 0.41 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.9, residual support = 260.9:
          HN    ILE  119 - HG12  ILE  119   2.21 +/- 0.25  99.999% * 99.2772% (0.80   7.90 260.92) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  18.76 +/- 2.02   0.000% *  0.3028% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.63 +/- 1.76   0.000% *  0.1070% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  24.16 +/- 3.32   0.000% *  0.3130% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   9.49 +/- 2.83 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 6.47 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.326, support = 3.64, residual support = 7.07:
          QD2   LEU  115 - QD1   ILE  119   2.44 +/- 0.72  70.376% * 48.2598% (0.40  1.00   4.63   9.73) =  71.305%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.99 +/- 1.93  29.417% * 46.4559% (0.15 10.00   1.19   0.46) =  28.691%  kept
        T QD1   LEU   73 - QD1   ILE  119  12.03 +/- 3.02   0.171% *  0.7822% (0.15 10.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - QD1   ILE  119  11.30 +/- 2.60   0.024% *  3.4821% (0.66 10.00   0.02   0.02) =   0.002%
          QG2   ILE   89 - QD1   ILE  119  11.59 +/- 1.28   0.009% *  0.2870% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  16.20 +/- 1.91   0.001% *  0.5058% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.16 +/- 1.63   0.002% *  0.2273% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.95, residual support = 14.6:
        T HA    GLN  116 - QD1   ILE  119   3.36 +/- 0.57  99.098% * 99.4587% (0.51 10.00   3.95  14.63) =  99.999%  kept
          HA    VAL   70 - QD1   ILE  119  12.98 +/- 3.23   0.446% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  12.56 +/- 2.20   0.145% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.23 +/- 2.03   0.287% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  19.13 +/- 3.42   0.015% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  21.38 +/- 3.06   0.005% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.00 +/- 2.71   0.003% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 2 structures by 0.32 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.81, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   8.43 +/- 2.66  47.637% * 81.6578% (0.96 10.00   0.02   0.02) =  80.198%  kept
        T QD    PHE   72 - QD1   ILE  119   8.17 +/- 2.25  52.363% * 18.3422% (0.21 10.00   0.02   0.02) =  19.802%  kept
    Distance limit 3.26 A violated in 18 structures by 4.06 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.528, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.71 +/- 2.11  73.431% * 23.3518% (0.47   0.02   0.02) =  67.410%  kept
          QE    PHE   72 - QD1   ILE  119   7.28 +/- 2.37  23.540% * 29.0981% (0.59   0.02   0.02) =  26.927%  kept
          HN    ALA   47 - QD1   ILE  119  12.47 +/- 1.36   3.030% * 47.5501% (0.96   0.02   0.02) =   5.663%  kept
    Distance limit 3.30 A violated in 13 structures by 2.08 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.857, support = 1.53, residual support = 17.8:
          HN    HIS  122 - QD1   ILE  119   6.05 +/- 0.68  23.077% * 98.1877% (0.87   1.56  17.71) =  98.394%  kept
          HN    PHE   59 - QD1   ILE  119   4.83 +/- 1.32  76.872% *  0.4803% (0.33   0.02  20.26) =   1.603%  kept
          HH2   TRP   87 - QD1   ILE  119  17.39 +/- 2.94   0.051% *  1.3320% (0.91   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 8 structures by 0.82 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.96, residual support = 260.9:
          HN    ILE  119 - QD1   ILE  119   3.51 +/- 0.29  99.945% * 99.2809% (0.95   6.96 260.92) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.17 +/- 2.02   0.027% *  0.2430% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  16.20 +/- 1.72   0.014% *  0.2430% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  20.48 +/- 3.35   0.007% *  0.1882% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  20.22 +/- 2.94   0.006% *  0.0449% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.21, residual support = 24.9:
        T QD1   LEU  123 - HA    ALA  120   2.39 +/- 0.42  99.768% * 99.1996% (0.45 10.00   5.21  24.92) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.22 +/- 3.69   0.145% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.96 +/- 4.50   0.048% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  11.84 +/- 4.21   0.023% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  14.74 +/- 1.62   0.006% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.01 +/- 1.93   0.003% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  14.37 +/- 4.54   0.006% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.456, support = 3.59, residual support = 19.2:
      O   HN    ALA  120 - HA    ALA  120   2.75 +/- 0.05  49.836% * 54.7228% (0.18  10.0   3.61  14.59) =  55.131%  kept
          HN    LEU  123 - HA    ALA  120   2.76 +/- 0.15  49.697% * 44.6584% (0.80   1.0   3.57  24.92) =  44.866%  kept
          HN    ALA  124 - HA    ALA  120   6.01 +/- 0.27   0.466% *  0.3063% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  21.66 +/- 3.22   0.000% *  0.3125% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.32, residual support = 314.6:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.77 +/- 0.01  99.993% * 99.7700% (0.45  10.0   6.32 314.63) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  24.41 +/- 3.73   0.003% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.74 +/- 2.36   0.004% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.31 +/- 1.16   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 2.49, residual support = 5.51:
          HA    THR  118 - HB2   LYS+ 121   2.88 +/- 0.79  90.567% * 28.0328% (0.87   1.96   5.81) =  79.136%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.73 +/- 0.27   9.410% * 71.1342% (0.97   4.48   4.40) =  20.864%  kept
          HA2   GLY  109 - HB2   LYS+ 121  14.77 +/- 2.07   0.020% *  0.1863% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  22.03 +/- 2.43   0.001% *  0.2515% (0.76   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.00 +/- 2.57   0.001% *  0.3037% (0.92   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.22 +/- 2.26   0.001% *  0.0915% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 1.64, residual support = 5.78:
        T HA    THR  118 - HB3   LYS+ 121   3.51 +/- 0.44  93.912% * 76.6229% (0.72 10.00   1.59   5.81) =  98.099%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.67 +/- 0.48   6.037% * 23.0954% (0.81  1.00   4.30   4.40) =   1.901%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.19 +/- 2.30   0.046% *  0.0630% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  22.37 +/- 2.55   0.002% *  0.0850% (0.64  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  26.73 +/- 2.82   0.001% *  0.1027% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.75 +/- 2.38   0.002% *  0.0309% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.24, residual support = 314.6:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.81 +/- 0.49  99.999% * 99.9582% (0.75  10.0   6.24 314.63) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  22.89 +/- 3.10   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.27, residual support = 50.4:
          HN    HIS  122 - HB3   LYS+ 121   3.89 +/- 0.35  99.933% * 99.5447% (0.75   6.27  50.44) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.31 +/- 1.48   0.061% *  0.1207% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  21.08 +/- 4.68   0.007% *  0.3347% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.41, residual support = 50.4:
          HN    HIS  122 - HB2   LYS+ 121   3.34 +/- 0.24  99.627% * 99.2387% (0.41   7.41  50.44) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   9.09 +/- 1.09   0.369% *  0.2221% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  20.92 +/- 4.54   0.003% *  0.3170% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  24.22 +/- 2.95   0.001% *  0.2221% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.73, residual support = 314.6:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.33 +/- 0.39  99.998% * 99.9061% (0.92  10.0   6.73 314.63) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.27 +/- 2.82   0.002% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.478, support = 1.39, residual support = 15.2:
          QG2   ILE  119 - HB2   HIS  122   4.51 +/- 1.18  41.984% * 82.4093% (0.53   1.50  17.71) =  85.460%  kept
          QD1   LEU   40 - HB2   HIS  122   7.77 +/- 5.69  36.823% * 15.4990% (0.20   0.75   0.37) =  14.097%  kept
          QD2   LEU   67 - HB2   HIS  122   8.33 +/- 4.90  20.295% *  0.8586% (0.41   0.02   0.02) =   0.430%
          QD2   LEU   71 - HB2   HIS  122  12.94 +/- 4.68   0.579% *  0.5208% (0.25   0.02   0.02) =   0.007%
          QD1   ILE  103 - HB2   HIS  122  14.35 +/- 4.47   0.318% *  0.7124% (0.34   0.02   0.02) =   0.006%
    Distance limit 3.47 A violated in 4 structures by 0.38 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.502, support = 0.0198, residual support = 0.0198:
          QD1   LEU  104 - HB2   HIS  122   9.85 +/- 5.29  28.496% * 20.0916% (0.69   0.02   0.02) =  53.592%  kept
          QD2   LEU  115 - HB2   HIS  122   9.10 +/- 1.27  22.138% * 12.0248% (0.41   0.02   0.02) =  24.918%  kept
          QD1   LEU   63 - HB2   HIS  122   7.55 +/- 2.42  47.221% *  4.5130% (0.15   0.02   0.02) =  19.948%  kept
          QD1   LEU   73 - HB2   HIS  122  14.07 +/- 4.29   1.643% *  4.5130% (0.15   0.02   0.02) =   0.694%  kept
          QG2   ILE   89 - HB2   HIS  122  17.12 +/- 1.45   0.298% * 16.5597% (0.57   0.02   0.02) =   0.462%
          QG1   VAL   83 - HB2   HIS  122  20.91 +/- 2.93   0.090% * 29.1845% (1.00   0.02   0.02) =   0.247%
          QD2   LEU   80 - HB2   HIS  122  19.74 +/- 2.43   0.114% * 13.1134% (0.45   0.02   0.02) =   0.139%
    Distance limit 4.02 A violated in 19 structures by 2.07 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 68.5:
      O   HD2   HIS  122 - HB2   HIS  122   3.47 +/- 0.52  99.819% * 99.8219% (1.00  10.0   3.49  68.54) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  10.92 +/- 1.05   0.154% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.72 +/- 2.06   0.020% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.57 +/- 2.98   0.007% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.35, residual support = 68.5:
      O   HN    HIS  122 - HB2   HIS  122   3.16 +/- 0.68  99.828% * 99.7165% (0.41  10.0   5.35  68.54) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   9.54 +/- 1.30   0.165% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  21.32 +/- 5.06   0.006% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  23.65 +/- 3.51   0.002% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 68.5:
      O   HD2   HIS  122 - HB3   HIS  122   3.16 +/- 0.51  99.893% * 99.8219% (1.00  10.0   3.91  68.54) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.74 +/- 1.66   0.095% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.62 +/- 2.51   0.009% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.82 +/- 3.01   0.003% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.99, residual support = 68.5:
      O   HN    HIS  122 - HB3   HIS  122   2.98 +/- 0.43  99.965% * 99.8567% (0.90  10.0   5.99  68.54) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.65 +/- 1.55   0.033% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  21.33 +/- 5.42   0.002% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.421, support = 1.14, residual support = 12.2:
          QG2   ILE  119 - HB3   HIS  122   4.37 +/- 0.92  54.906% * 50.5428% (0.53  1.00   1.50  17.71) =  68.265%  kept
        T QD1   LEU   40 - HB3   HIS  122   8.10 +/- 5.74  26.582% * 48.1743% (0.20 10.00   0.38   0.37) =  31.501%  kept
          QD2   LEU   67 - HB3   HIS  122   8.71 +/- 4.85  16.520% *  0.5266% (0.41  1.00   0.02   0.02) =   0.214%
          QD1   ILE  103 - HB3   HIS  122  14.28 +/- 4.99   1.427% *  0.4369% (0.34  1.00   0.02   0.02) =   0.015%
          QD2   LEU   71 - HB3   HIS  122  13.29 +/- 4.57   0.565% *  0.3194% (0.25  1.00   0.02   0.02) =   0.004%
    Distance limit 3.53 A violated in 2 structures by 0.40 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.13, residual support = 24.9:
          HA    ALA  120 - HG    LEU  123   2.18 +/- 0.60  99.628% * 94.8660% (0.68  1.00   3.13  24.92) =  99.998%  kept
          HA    LYS+ 121 - HG    LEU  123   6.61 +/- 0.29   0.297% *  0.4204% (0.47  1.00   0.02   2.19) =   0.001%
          QB    SER  117 - HG    LEU  123   8.69 +/- 0.60   0.045% *  0.2088% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.84 +/- 3.47   0.018% *  0.5112% (0.57  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  22.11 +/- 3.65   0.004% *  1.5261% (0.17 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.52 +/- 4.06   0.005% *  0.5489% (0.62  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.55 +/- 1.68   0.001% *  0.4677% (0.52  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  23.14 +/- 3.38   0.001% *  0.3712% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  24.36 +/- 3.04   0.000% *  0.5309% (0.60  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.27 +/- 1.91   0.000% *  0.5489% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 200.5:
          HN    LEU  123 - HG    LEU  123   3.54 +/- 0.18  99.231% * 99.5304% (0.36   5.52 200.50) =  99.997%  kept
          HZ2   TRP   49 - HG    LEU  123  23.69 +/- 4.58   0.764% *  0.3339% (0.33   0.02   0.02) =   0.003%
          HE21  GLN   17 - HG    LEU  123  20.88 +/- 3.72   0.005% *  0.1358% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 24.9:
          HA    ALA  120 - HB3   LEU  123   3.47 +/- 0.42  97.088% * 96.1871% (0.99   3.13  24.92) =  99.987%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.44 +/- 0.40   2.604% *  0.4263% (0.69   0.02   2.19) =   0.012%
          QB    SER  117 - HB3   LEU  123   9.80 +/- 0.48   0.206% *  0.2117% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  15.01 +/- 3.92   0.031% *  0.5183% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  24.29 +/- 3.92   0.046% *  0.1547% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  18.32 +/- 4.68   0.011% *  0.5565% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  25.38 +/- 3.51   0.007% *  0.3764% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  26.22 +/- 3.26   0.004% *  0.5383% (0.87   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.39 +/- 1.91   0.002% *  0.4742% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.70 +/- 2.23   0.000% *  0.5565% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.896, support = 5.32, residual support = 162.3:
      O   HN    LEU  123 - HB3   LEU  123   3.40 +/- 0.31  33.904% * 88.3638% (0.98  10.0   5.52 200.50) =  79.659%  kept
          HN    ALA  124 - HB3   LEU  123   3.09 +/- 0.29  66.095% * 11.5743% (0.57   1.0   4.54  12.84) =  20.341%  kept
          HE21  GLN   17 - HB3   LEU  123  22.09 +/- 4.07   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 24.9:
          HA    ALA  120 - HB2   LEU  123   2.14 +/- 0.39  99.168% * 88.6561% (0.99  1.00   3.13  24.92) =  99.964%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.03 +/- 0.30   0.794% *  3.9267% (0.69 10.00   0.02   2.19) =   0.035%
        T HA    LYS+  65 - HB2   LEU  123  15.06 +/- 3.48   0.002% *  4.7749% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.53 +/- 0.42   0.034% *  0.1950% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  18.44 +/- 4.20   0.001% *  0.5127% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  23.48 +/- 3.52   0.001% *  0.1425% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  24.71 +/- 3.18   0.000% *  0.3467% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.18 +/- 1.67   0.000% *  0.4369% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  25.49 +/- 2.88   0.000% *  0.4959% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.69 +/- 1.99   0.000% *  0.5127% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.978, support = 5.84, residual support = 199.3:
      O   HN    LEU  123 - HB2   LEU  123   2.25 +/- 0.27  95.008% * 88.9068% (0.98  10.0   5.85 200.50) =  99.352%  kept
          HN    ALA  124 - HB2   LEU  123   4.14 +/- 0.24   4.992% * 11.0309% (0.57   1.0   4.30  12.84) =   0.648%  kept
          HE21  GLN   17 - HB2   LEU  123  22.08 +/- 3.70   0.000% *  0.0623% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 5.21, residual support = 24.9:
        T HA    ALA  120 - QD1   LEU  123   2.39 +/- 0.42  98.847% * 98.4994% (0.57 10.00   5.21  24.92) = 100.000%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.38 +/- 0.25   1.098% *  0.0344% (0.20  1.00   0.02   2.19) =   0.000%
          HA    LYS+  65 - QD1   LEU  123  10.34 +/- 2.91   0.037% *  0.1646% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.31 +/- 3.33   0.007% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.23 +/- 2.94   0.005% *  0.1330% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  20.89 +/- 2.67   0.001% *  0.5370% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.79 +/- 1.54   0.002% *  0.0434% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.12 +/- 2.72   0.001% *  0.0268% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  19.89 +/- 2.38   0.001% *  0.0593% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.23 +/- 1.70   0.000% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  22.86 +/- 3.66   0.000% *  0.0985% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  22.30 +/- 1.68   0.000% *  0.0915% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.83, residual support = 9.31:
      O   HN    ALA  124 - QB    ALA  124   2.31 +/- 0.34  98.752% * 99.6793% (0.57  10.0   1.83   9.31) =  99.998%  kept
          HN    LEU  123 - QB    ALA  124   5.48 +/- 0.41   1.247% *  0.1885% (0.98   1.0   0.02  12.84) =   0.002%
          HE21  GLN   17 - QB    ALA  124  19.47 +/- 3.80   0.001% *  0.1321% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.83, residual support = 9.31:
      O   HN    ALA  124 - HA    ALA  124   2.71 +/- 0.26  98.331% * 99.7423% (0.98  10.0   1.83   9.31) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.65 +/- 0.36   1.614% *  0.0890% (0.80   1.0   0.02  12.84) =   0.001%
          HN    ALA  120 - HA    ALA  124   9.91 +/- 0.34   0.049% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.53 +/- 2.57   0.004% *  0.0129% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  23.27 +/- 4.53   0.000% *  0.1112% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  23.14 +/- 6.25   0.001% *  0.0126% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  21.67 +/- 5.26   0.001% *  0.0103% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  23.06 +/- 3.54   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 4.52, residual support = 47.5:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  78.207% * 55.0021% (0.98  10.0   4.20  12.84) =  81.545%  kept
      O   HN    LEU  123 - HA    LEU  123   2.84 +/- 0.04  21.666% * 44.9320% (0.80  10.0   5.95 200.50) =  18.455%  kept
          HN    ALA  120 - HA    LEU  123   6.72 +/- 0.24   0.127% *  0.0098% (0.18   1.0   0.02  24.92) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.40 +/- 4.13   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  17.55 +/- 5.71 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 14.32 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.97, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.31 +/- 0.13  99.999% * 99.7350% (0.69  10.0   5.97  22.38) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  19.72 +/- 1.92   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  21.89 +/- 2.20   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  20.34 +/- 1.95   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.72 +/- 0.94   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.4:
      O   HN    PHE   95 - HA    THR   94   2.17 +/- 0.04 100.000% *100.0000% (0.73  10.0   3.16  14.39) = 100.000%  kept
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.74, residual support = 82.1:
      O   HN    LEU   80 - HB2   LEU   80   3.18 +/- 0.55  99.958% * 99.7811% (1.00  10.0   6.74  82.10) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  15.94 +/- 0.66   0.010% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  13.77 +/- 0.72   0.025% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  16.71 +/- 1.92   0.007% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.48, residual support = 82.1:
      O   HN    LEU   80 - HB3   LEU   80   3.39 +/- 0.26  99.950% * 99.7811% (1.00  10.0   6.48  82.10) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  15.84 +/- 0.80   0.011% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  13.61 +/- 0.88   0.030% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  16.92 +/- 1.72   0.009% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 82.1:
      O   HA    LEU   80 - HB3   LEU   80   2.59 +/- 0.29  98.521% * 99.6901% (0.98  10.0   4.84  82.10) =  99.999%  kept
          HA    THR   23 - HB3   LEU   80   5.75 +/- 0.79   1.175% *  0.0912% (0.90   1.0   0.02   8.52) =   0.001%
          HB    THR   23 - HB3   LEU   80   7.81 +/- 0.79   0.154% *  0.0912% (0.90   1.0   0.02   8.52) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   8.27 +/- 0.62   0.150% *  0.0617% (0.61   1.0   0.02   3.89) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  19.93 +/- 0.99   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.538, support = 3.82, residual support = 82.1:
      O   QD2   LEU   80 - HB3   LEU   80   2.45 +/- 0.34  77.387% * 77.3053% (0.57  10.0  1.00   3.73  82.10) =  93.485%  kept
      O   QD1   LEU   80 - HB3   LEU   80   3.10 +/- 0.24  22.558% * 18.4793% (0.14  10.0  1.00   5.11  82.10) =   6.514%  kept
        T QD1   LEU   73 - HB3   LEU   80   9.45 +/- 0.97   0.030% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  15.48 +/- 1.78   0.002% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  16.92 +/- 1.78   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  10.93 +/- 0.72   0.011% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  18.05 +/- 1.14   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.07 +/- 1.44   0.011% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.29 +/- 2.56   0.001% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.69, residual support = 80.5:
      O   HA    LEU   80 - HG    LEU   80   3.39 +/- 0.47  69.936% * 93.7731% (0.63  10.0   4.77  82.10) =  97.802%  kept
          HA    THR   23 - HG    LEU   80   4.21 +/- 1.05  27.018% *  5.4473% (0.58   1.0   1.27   8.52) =   2.195%  kept
          HB    THR   23 - HG    LEU   80   6.28 +/- 0.92   1.770% *  0.0858% (0.58   1.0   0.02   8.52) =   0.002%
          HA    ASP- 105 - HG    LEU   40  10.02 +/- 1.83   0.605% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   80   8.38 +/- 0.73   0.461% *  0.0580% (0.39   1.0   0.02   3.89) =   0.000%
          HA    THR   23 - HG    LEU   73  12.47 +/- 1.63   0.044% *  0.0341% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.76 +/- 1.75   0.042% *  0.0341% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.78 +/- 1.58   0.028% *  0.0372% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.47 +/- 0.55   0.026% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.54 +/- 0.36   0.024% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  14.92 +/- 1.90   0.019% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  16.14 +/- 0.84   0.008% *  0.0319% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  20.80 +/- 1.51   0.002% *  0.0619% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.25 +/- 1.31   0.002% *  0.0706% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.51 +/- 0.72   0.005% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  21.05 +/- 1.09   0.002% *  0.0646% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.37 +/- 1.17   0.002% *  0.0646% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  18.46 +/- 1.67   0.004% *  0.0211% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.29 +/- 0.37   0.003% *  0.0197% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.54 +/- 1.46   0.001% *  0.0437% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.181, support = 5.41, residual support = 155.1:
          HN    LEU   73 - HG    LEU   73   3.19 +/- 0.67  43.561% * 43.0584% (0.20   5.64 168.62) =  77.423%  kept
          HN    ILE   19 - HG12  ILE   19   3.17 +/- 0.60  40.329% *  8.3474% (0.03   6.31 175.90) =  13.896%  kept
          HN    VAL   42 - HG    LEU   40   5.24 +/- 1.11   3.087% * 34.6959% (0.37   2.40   1.42) =   4.421%  kept
          HN    VAL   42 - HG    LEU   73   4.59 +/- 1.24   9.044% * 11.3616% (0.20   1.49   1.12) =   4.241%  kept
          HN    LEU   73 - HG12  ILE   19   5.49 +/- 0.87   1.652% *  0.1310% (0.17   0.02   4.00) =   0.009%
          HN    VAL   42 - HG12  ILE   19   7.01 +/- 1.43   1.237% *  0.1310% (0.17   0.02   0.02) =   0.007%
          HN    ILE   19 - HG    LEU   73   5.70 +/- 0.55   0.941% *  0.0309% (0.04   0.02   4.00) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.98 +/- 1.27   0.072% *  0.2897% (0.37   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  11.20 +/- 1.64   0.035% *  0.3166% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.89 +/- 1.42   0.013% *  0.3850% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.55 +/- 1.20   0.003% *  0.3850% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.76 +/- 1.44   0.013% *  0.0585% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.72 +/- 1.14   0.008% *  0.0777% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  14.85 +/- 1.86   0.004% *  0.1670% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.88 +/- 1.38   0.000% *  0.4208% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  18.36 +/- 1.64   0.001% *  0.1432% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.761, support = 5.78, residual support = 171.0:
      O T HA    LYS+  99 - HB3   LYS+  99   2.66 +/- 0.30  92.218% * 92.9909% (0.76  10.0 10.00   5.80 171.80) =  99.553%  kept
          HA    LEU   40 - HB3   LYS+  99   4.60 +/- 1.23   7.719% *  4.9889% (0.65   1.0  1.00   1.27  12.23) =   0.447%
          HA    ASN   35 - HB3   LYS+  99  10.45 +/- 1.19   0.052% *  0.1091% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  16.83 +/- 6.17   0.007% *  0.1193% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  22.54 +/- 1.66   0.000% *  1.1232% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.50 +/- 1.77   0.001% *  0.5002% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  17.14 +/- 1.35   0.002% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.16 +/- 1.91   0.000% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  22.09 +/- 1.29   0.000% *  0.0592% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.75, residual support = 171.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.09 +/- 0.34  97.696% * 99.4797% (0.31  10.0   3.75 171.80) =  99.998%  kept
          HE1   HIS  122 - HB3   LYS+  99  11.87 +/- 7.32   2.247% *  0.0804% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   LYS+  99  11.70 +/- 1.17   0.055% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  20.82 +/- 1.55   0.002% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.29 +/- 2.26   0.001% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.57, residual support = 16.5:
        T QD1   LEU  104 - HB3   LYS+  99   2.62 +/- 0.53  99.970% * 97.0963% (0.41 10.00   1.57  16.52) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.08 +/- 0.72   0.006% *  2.5157% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  16.46 +/- 2.24   0.011% *  0.2613% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  16.39 +/- 1.09   0.007% *  0.0671% (0.22  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  15.94 +/- 2.46   0.007% *  0.0596% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.91, residual support = 12.2:
        T QD2   LEU   40 - HB3   LYS+  99   3.32 +/- 1.28  95.147% * 99.5884% (0.76 10.00   1.91  12.23) =  99.996%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.98 +/- 0.41   4.415% *  0.0828% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HB3   LYS+  99  10.44 +/- 1.88   0.311% *  0.0991% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  16.39 +/- 1.06   0.033% *  0.1291% (0.95  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.49 +/- 3.22   0.085% *  0.0340% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.17 +/- 0.94   0.008% *  0.0665% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 5 structures by 0.41 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 171.8:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.71 +/- 0.22  99.915% * 99.4593% (0.97  10.0   5.47 171.80) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.35 +/- 0.99   0.047% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.05 +/- 1.44   0.011% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  15.65 +/- 5.66   0.013% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  15.00 +/- 1.49   0.005% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  17.07 +/- 1.50   0.002% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.25 +/- 0.97   0.004% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.58 +/- 1.29   0.002% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.03 +/- 2.90   0.001% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.39 +/- 1.15   0.001% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 171.8:
      O T HB2   LYS+  99 - HA    LYS+  99   2.79 +/- 0.29  99.961% * 99.7492% (0.99  10.0 10.00   7.00 171.80) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.70 +/- 0.48   0.037% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.21 +/- 1.03   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.73 +/- 0.84   0.000% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.616, support = 5.14, residual support = 180.6:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.85 +/- 0.29  20.058% * 58.3907% (0.99  10.0  1.00   5.01 171.80) =  42.293%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.37 +/- 0.15  51.139% * 20.0954% (0.34  10.0 10.00   5.27 171.80) =  37.110%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.61 +/- 0.16  28.580% * 19.9563% (0.34  10.0 10.00   5.15 214.51) =  20.596%  kept
        T QD    LYS+ 106 - HG12  ILE   89  10.03 +/- 3.36   0.105% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.47 +/- 2.08   0.087% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.54 +/- 1.09   0.003% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.93 +/- 1.83   0.020% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.62 +/- 1.06   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.61 +/- 1.14   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.92 +/- 1.85   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  18.06 +/- 1.28   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  12.45 +/- 1.56   0.003% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.95 +/- 1.39   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.28 +/- 0.72   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.26 +/- 1.81   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.53 +/- 1.28   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.64 +/- 1.07   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.29 +/- 1.59   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 171.8:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.57 +/- 0.24  99.753% * 97.9462% (0.99  10.0 10.00   6.44 171.80) =  99.999%  kept
        T HB    VAL   43 - HG12  ILE   89   8.34 +/- 0.91   0.128% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.93 +/- 1.84   0.076% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.34 +/- 0.52   0.006% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.49 +/- 1.03   0.033% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.06 +/- 1.35   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.90 +/- 1.50   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  16.87 +/- 1.45   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  21.52 +/- 2.07   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.14 +/- 0.89   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  20.97 +/- 1.48   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  27.93 +/- 1.16   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 114.3:
    * O   HA    GLN  116 - HG3   GLN  116   3.57 +/- 0.30  99.975% * 99.5202% (1.00  10.0   5.17 114.26) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  21.02 +/- 3.10   0.005% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.47 +/- 2.24   0.006% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.67 +/- 3.05   0.007% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  20.54 +/- 2.86   0.005% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.38 +/- 3.27   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.33 +/- 2.64   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.01 +/- 2.59   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.02 +/- 2.33   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.72, residual support = 114.3:
      O   HB2   GLN  116 - HG3   GLN  116   2.33 +/- 0.10  99.979% * 99.6757% (0.98  10.0   5.72 114.26) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116  11.46 +/- 2.28   0.020% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.59 +/- 2.16   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.58 +/- 2.36   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  26.52 +/- 2.36   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.77 +/- 2.13   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.71, residual support = 97.9:
          QD2   LEU  115 - HG3   GLN  116   4.43 +/- 1.47  79.626% * 98.7512% (0.97   6.71  97.96) =  99.963%  kept
          QD1   LEU   63 - HG3   GLN  116   8.67 +/- 2.62  11.867% *  0.2095% (0.69   0.02   0.02) =   0.032%
          QD2   LEU   63 - HG3   GLN  116   9.38 +/- 2.91   8.465% *  0.0471% (0.15   0.02   0.02) =   0.005%
          QD1   LEU  104 - HG3   GLN  116  16.45 +/- 2.03   0.018% *  0.2989% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.12 +/- 2.89   0.016% *  0.2095% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.33 +/- 1.94   0.004% *  0.2989% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  23.11 +/- 1.94   0.003% *  0.1850% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 4 structures by 0.81 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.47, residual support = 114.3:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   5.47 114.26) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  13.45 +/- 1.82   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.50 +/- 2.26   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 = 4.02, residual support = 114.3:
      O   HE21  GLN  116 - HG3   GLN  116   3.33 +/- 0.45  96.253% * 99.6819% (0.69  10.0   4.02 114.26) =  99.998%  kept
          HN    ALA  120 - HG3   GLN  116   6.18 +/- 0.57   3.632% *  0.0448% (0.31   1.0   0.02   0.53) =   0.002%
          HN    ALA   57 - HG3   GLN  116  11.53 +/- 1.50   0.112% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  22.31 +/- 3.85   0.003% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.95 +/- 2.47   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.689, support = 7.27, residual support = 113.5:
          HN    GLN  116 - HG3   GLN  116   3.87 +/- 0.36  93.262% * 83.9854% (0.69   7.31 114.26) =  99.303%  kept
          HN    THR  118 - HG3   GLN  116   6.87 +/- 0.60   3.538% * 15.4341% (0.92   1.00   0.02) =   0.692%  kept
          HN    GLU- 114 - HG3   GLN  116   7.06 +/- 0.75   2.756% *  0.0834% (0.25   0.02   0.29) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.79 +/- 1.56   0.442% *  0.3344% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG3   GLN  116  25.65 +/- 2.62   0.002% *  0.1628% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.58, residual support = 176.1:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.397% * 88.2996% (1.00  10.0 10.00   6.60 171.80) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.397% *  8.9120% (0.10  10.0 10.00   6.44 218.26) =   9.168%  kept
          QB    ALA   84 - HG12  ILE   89   4.25 +/- 0.89   0.879% *  0.0063% (0.07   1.0  1.00   0.02  13.62) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.74 +/- 1.37   0.006% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   4.60 +/- 0.39   0.185% *  0.0247% (0.28   1.0  1.00   0.02   7.70) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   8.01 +/- 2.15   0.036% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.97 +/- 1.12   0.066% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.57 +/- 1.50   0.008% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.18 +/- 1.66   0.012% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.45 +/- 1.09   0.006% *  0.0221% (0.25   1.0  1.00   0.02  19.05) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  15.90 +/- 3.09   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.88 +/- 1.50   0.004% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.66 +/- 1.26   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.88 +/- 5.99   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.19 +/- 2.84   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.53 +/- 1.98   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.19 +/- 1.28   0.001% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.54 +/- 1.34   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  15.18 +/- 0.96   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.36 +/- 2.65   0.002% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.20 +/- 0.93   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  18.74 +/- 1.40   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  17.03 +/- 1.86   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  19.99 +/- 1.16   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.02 +/- 1.09   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.29 +/- 1.24   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  19.63 +/- 0.91   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  23.89 +/- 0.87   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  20.31 +/- 6.47   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.15 +/- 0.81   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.77 +/- 2.10   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.23 +/- 1.63   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.64 +/- 1.12   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.41 +/- 1.01   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.38 +/- 1.34   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.04 +/- 1.50   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  21.97 +/- 1.13   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.78 +/- 3.00   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.39 +/- 1.53   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   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        :   1736
      with multiple volume contributions     :    494
      eliminated by violation filter         :    100
 
    Peaks:
      selected                               :   2699
      without assignment                     :    129
      with assignment                        :   2570
      with unique assignment                 :   2017
      with multiple assignment               :    553
      with reference assignment              :   1605
      with identical reference assignment    :   1265
      with compatible reference assignment   :    332
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    965
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QB    LYS+  33       2.7
    QD2   LEU   40       4.0
    HB    VAL   41       2.7
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.2
    QD    PHE   60       3.2
    HN    LYS+  65       6.0
    HZ    PHE   72       2.9
    HA    LEU   73       3.0
    HA    THR  118       4.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 71.8:
        T HA    PHE   60 - QD    PHE   60   2.79 +/- 0.41  99.668% * 98.3426% (0.87 10.00   3.93  71.82) =  99.999%  kept
        T QB    SER  117 - QD    PHE   60  11.63 +/- 1.21   0.027% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.10 +/- 1.21   0.209% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.05 +/- 1.29   0.024% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.75 +/- 1.68   0.026% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  12.38 +/- 1.80   0.036% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.09 +/- 1.88   0.011% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 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  99.689% * 99.2427% (0.69  10.0   1.00  70.38) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.56 +/- 0.17   0.305% *  0.1753% (0.61   1.0   0.02  70.38) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.57 +/- 1.04   0.005% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  20.26 +/- 2.06   0.001% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  21.05 +/- 1.62   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  22.09 +/- 2.95   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  21.84 +/- 2.18 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.72 A violated in 20 structures by 17.11 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 = 5.19:
          QB    ALA   20 - HE1   HIS   22   3.87 +/- 0.29  99.967% * 92.9950% (0.76   1.04   5.19) =  99.999%  kept
          QG2   VAL  107 - HE1   HIS   22  17.48 +/- 1.96   0.016% *  2.2108% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  19.14 +/- 0.63   0.008% *  0.5828% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  22.56 +/- 2.34   0.003% *  1.2296% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  21.18 +/- 2.45   0.005% *  0.6498% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  28.21 +/- 2.47   0.001% *  2.3319% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.372, support = 4.61, residual support = 39.2:
          HN    ASN   28 - HD1   TRP   27   3.84 +/- 0.27  89.814% * 35.3928% (0.25   5.07  46.86) =  83.407%  kept
          HN    GLU-  25 - HD1   TRP   27   5.61 +/- 0.44   9.883% * 63.9717% (0.99   2.30   0.38) =  16.589%  kept
          HN    ASP-  44 - HD1   TRP   27  10.19 +/- 0.69   0.299% *  0.5491% (0.98   0.02   0.02) =   0.004%
          HN    ALA  110 - HD1   TRP   27  21.10 +/- 2.10   0.004% *  0.0864% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 98.3:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.99  98.32) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.51, residual support = 98.3:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.9794% (0.89  10.0   1.51  98.32) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  15.77 +/- 0.92   0.002% *  0.0206% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.71, residual support = 98.3:
          HA    TRP   27 - HE3   TRP   27   2.41 +/- 0.25  99.992% * 98.3657% (0.96   3.71  98.32) = 100.000%  kept
          HA    VAL  107 - HE3   TRP   27  17.24 +/- 0.90   0.001% *  0.5072% (0.91   0.02   0.02) =   0.000%
          HA    ALA   91 - HE3   TRP   27  18.12 +/- 0.70   0.001% *  0.5446% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  15.71 +/- 1.77   0.003% *  0.0789% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  18.11 +/- 0.84   0.001% *  0.0825% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  22.38 +/- 1.82   0.000% *  0.2062% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  20.16 +/- 2.53   0.000% *  0.0848% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  17.92 +/- 2.33   0.001% *  0.0132% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  23.29 +/- 1.85   0.000% *  0.0847% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.67 +/- 1.07   0.000% *  0.0321% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.38, residual support = 98.3:
      O   HB3   TRP   27 - HE3   TRP   27   3.02 +/- 0.12  99.894% * 98.0783% (0.17  10.0   4.38  98.32) = 100.000%  kept
          QE    LYS+ 102 - HE3   TRP   27  14.60 +/- 1.85   0.012% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  14.23 +/- 0.71   0.010% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  15.93 +/- 0.83   0.005% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  11.83 +/- 1.85   0.038% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.31 +/- 0.70   0.015% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.23 +/- 2.16   0.003% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.28 +/- 2.17   0.004% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.24 +/- 1.60   0.019% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.84 +/- 1.06   0.002% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.839, support = 1.44, residual support = 7.14:
          QG1   VAL   43 - HE3   TRP   27   4.04 +/- 0.90  44.255% * 63.3557% (0.99   1.50   5.52) =  77.020%  kept
          QD2   LEU   73 - HE3   TRP   27   4.84 +/- 1.51  27.376% * 17.6152% (0.28   1.50   8.66) =  13.247%  kept
          HG    LEU   31 - HE3   TRP   27   4.43 +/- 0.64  22.886% * 15.3590% (0.41   0.88  18.08) =   9.656%  kept
          QG1   VAL   41 - HE3   TRP   27   6.26 +/- 0.69   2.354% *  0.7991% (0.94   0.02   0.02) =   0.052%
          QD1   ILE   19 - HE3   TRP   27   7.40 +/- 0.86   1.232% *  0.4112% (0.48   0.02   0.02) =   0.014%
          QG2   VAL   18 - HE3   TRP   27  10.02 +/- 0.87   0.184% *  0.7798% (0.91   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    LEU   67   7.22 +/- 0.82   1.101% *  0.1213% (0.14   0.02   0.02) =   0.004%
          QG2   THR   46 - HE3   TRP   27  10.33 +/- 0.75   0.148% *  0.7056% (0.83   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   67  11.26 +/- 0.85   0.072% *  0.1243% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  10.55 +/- 1.46   0.113% *  0.0640% (0.08   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.02 +/- 0.77   0.048% *  0.1314% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  13.66 +/- 1.22   0.022% *  0.2881% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67   9.92 +/- 0.64   0.157% *  0.0365% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.35 +/- 1.23   0.021% *  0.1098% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.84 +/- 1.51   0.028% *  0.0448% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.26 +/- 1.23   0.004% *  0.0540% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 0.443, support = 3.29, residual support = 9.17:
          QD1   LEU   73 - HE3   TRP   27   3.27 +/- 1.66  82.952% * 35.6653% (0.37   3.49   8.66) =  81.992%  kept
          QD2   LEU   80 - HE3   TRP   27   5.05 +/- 0.54  12.117% * 50.9884% (0.76   2.45  11.95) =  17.122%  kept
          QG1   VAL   83 - HE3   TRP   27   6.89 +/- 2.35   2.721% * 11.7114% (0.89   0.48   2.70) =   0.883%  kept
          QD1   LEU   63 - HN    LEU   67   6.61 +/- 0.44   1.820% *  0.0318% (0.06   0.02   0.02) =   0.002%
          QG2   ILE   89 - HE3   TRP   27  10.13 +/- 0.53   0.117% *  0.1513% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.46 +/- 1.00   0.025% *  0.5148% (0.94   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.63 +/- 1.59   0.031% *  0.2043% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  11.43 +/- 1.61   0.075% *  0.0615% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  17.14 +/- 2.42   0.009% *  0.3952% (0.72   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  12.15 +/- 1.83   0.038% *  0.0801% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.46 +/- 0.97   0.087% *  0.0318% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  17.60 +/- 0.76   0.004% *  0.0647% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  19.65 +/- 1.12   0.002% *  0.0759% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  17.08 +/- 1.00   0.005% *  0.0235% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.719, support = 1.0, residual support = 2.99:
          QG2   VAL   75 - HE3   TRP   27   4.01 +/- 1.19  89.109% * 97.9351% (0.72   1.00   2.99) =  99.946%  kept
          QG2   VAL   42 - HE3   TRP   27   9.05 +/- 0.74   1.677% *  1.5237% (0.56   0.02   0.02) =   0.029%
          QG2   VAL   42 - HN    LEU   67   7.15 +/- 0.95   9.126% *  0.2371% (0.09   0.02   0.02) =   0.025%
          QG2   VAL   75 - HN    LEU   67  14.22 +/- 0.64   0.088% *  0.3041% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 4 structures by 0.44 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.49, residual support = 34.5:
      O T HB2   HIS   22 - HD2   HIS   22   3.59 +/- 0.35  99.991% * 99.9216% (0.92  10.0 10.00   2.49  34.50) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  18.78 +/- 0.98   0.006% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  22.98 +/- 3.01   0.003% *  0.0214% (0.20   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 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.11, residual support = 34.5:
      O T HB3   HIS   22 - HD2   HIS   22   3.74 +/- 0.19  99.972% * 99.8217% (0.45  10.0 10.00   3.11  34.50) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  18.29 +/- 3.89   0.028% *  0.1783% (0.80   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 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.862, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   7.45 +/- 1.60  68.366% * 29.7119% (0.92   0.02   0.02) =  78.226%  kept
          HB3   ASP-  78 - HD2   HIS   22   9.80 +/- 2.69  20.713% * 19.5221% (0.61   0.02   0.02) =  15.572%  kept
          QB    CYS   50 - HD2   HIS   22  12.23 +/- 2.64   4.368% * 28.8658% (0.90   0.02   0.02) =   4.856%  kept
          HB2   PHE   72 - HD2   HIS   22  11.37 +/- 0.89   6.353% *  4.9662% (0.15   0.02   0.02) =   1.215%  kept
          HB3   ASN   69 - HD2   HIS   22  21.74 +/- 0.96   0.201% * 16.9340% (0.53   0.02   0.02) =   0.131%
    Distance limit 4.76 A violated in 18 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.09, residual support = 5.19:
        T QB    ALA   20 - HD2   HIS   22   3.46 +/- 0.65  99.901% * 98.9678% (0.28 10.00   2.09   5.19) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  16.32 +/- 1.84   0.019% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  13.14 +/- 1.55   0.070% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  19.37 +/- 2.13   0.007% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  24.70 +/- 3.49   0.003% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  26.47 +/- 2.63   0.001% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  20.56 +/- 1.98 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.71 A violated in 20 structures by 15.85 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 6.26:
          HA    CYS   21 - HD2   HIS   22   3.90 +/- 0.46  99.390% * 97.2133% (0.95   2.98   6.26) =  99.998%  kept
          HA    ALA   47 - HD2   HIS   22  11.96 +/- 3.10   0.413% *  0.1921% (0.28   0.02   0.02) =   0.001%
          HA    CYS   50 - HD2   HIS   22  14.58 +/- 2.99   0.113% *  0.6535% (0.95   0.02   0.02) =   0.001%
          HA    TRP   49 - HD2   HIS   22  15.50 +/- 3.10   0.064% *  0.6908% (1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  22.19 +/- 2.95   0.005% *  0.6667% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  19.37 +/- 2.49   0.011% *  0.1367% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  22.49 +/- 1.78   0.003% *  0.4469% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.988, support = 3.22, residual support = 46.5:
          HA    ASN   28 - HD1   TRP   27   4.72 +/- 0.20  92.216% * 79.2758% (1.00   3.23  46.86) =  98.629%  kept
          HA    THR   26 - HD1   TRP   27   7.58 +/- 0.28   5.529% * 18.3262% (0.28   2.68  22.06) =   1.367%  kept
          HA    LYS+  81 - HD1   TRP   27   9.22 +/- 0.72   1.916% *  0.0974% (0.20   0.02   0.02) =   0.003%
          HA    ALA   34 - HD1   TRP   27  14.14 +/- 0.35   0.130% *  0.4544% (0.92   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  15.01 +/- 2.67   0.151% *  0.3762% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  22.18 +/- 1.49   0.010% *  0.4879% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.04 +/- 1.39   0.010% *  0.3381% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  17.85 +/- 0.49   0.032% *  0.0666% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.57 +/- 1.32   0.005% *  0.2986% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  30.30 +/- 3.27   0.002% *  0.2787% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.32 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.92, residual support = 26.1:
          HA    VAL   24 - HD1   TRP   27   2.49 +/- 0.38  99.998% * 99.5029% (1.00   4.92  26.10) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  17.19 +/- 0.63   0.001% *  0.2786% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  19.39 +/- 1.06   0.001% *  0.0803% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.51 +/- 1.46   0.000% *  0.1383% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 98.3:
      O T HB2   TRP   27 - HD1   TRP   27   2.61 +/- 0.01  99.944% * 99.7544% (0.65  10.0 10.00   3.66  98.32) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27   9.28 +/- 0.65   0.056% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  18.45 +/- 0.89   0.001% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 98.3:
      O T HB3   TRP   27 - HD1   TRP   27   3.57 +/- 0.07  99.961% * 99.6316% (0.73  10.0 10.00   4.09  98.32) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.81 +/- 2.38   0.021% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  16.31 +/- 0.56   0.011% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  17.79 +/- 1.14   0.007% *  0.1267% (0.92   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 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 3.03, residual support = 26.1:
        T QG2   VAL   24 - HD1   TRP   27   2.33 +/- 0.44  89.418% * 94.4720% (0.76 10.00   3.04  26.10) =  99.427%  kept
          QG1   VAL   24 - HD1   TRP   27   3.98 +/- 0.75  10.581% *  4.5982% (0.31  1.00   2.41  26.10) =   0.573%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.30 +/- 1.02   0.001% *  0.7997% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  20.00 +/- 2.26   0.000% *  0.0750% (0.61  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  26.55 +/- 2.03   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  26.37 +/- 2.30   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.83, support = 2.89, residual support = 6.71:
          QG1   VAL   83 - HD1   TRP   27   3.30 +/- 2.98  63.154% * 42.2016% (0.80   2.62   2.70) =  56.638%  kept
          QD2   LEU   80 - HD1   TRP   27   2.87 +/- 0.51  36.054% * 56.5916% (0.87   3.24  11.95) =  43.359%  kept
          QD1   LEU   73 - HD1   TRP   27   7.37 +/- 1.36   0.738% *  0.1959% (0.49   0.02   8.66) =   0.003%
          QG2   ILE   89 - HD1   TRP   27   9.49 +/- 0.67   0.049% *  0.0797% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  16.22 +/- 1.07   0.002% *  0.3990% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  15.71 +/- 1.82   0.002% *  0.1959% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  19.42 +/- 2.23   0.001% *  0.3362% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.943, support = 0.932, residual support = 5.91:
          QG2   VAL   83 - HD1   TRP   27   3.83 +/- 2.27  85.322% * 38.5399% (1.00   0.75   2.70) =  79.143%  kept
          QD2   LEU   31 - HD1   TRP   27   5.45 +/- 0.94  14.309% * 60.5384% (0.73   1.62  18.08) =  20.849%  kept
          QD1   ILE   89 - HD1   TRP   27   8.92 +/- 0.46   0.369% *  0.9217% (0.90   0.02   0.02) =   0.008%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.21, residual support = 98.3:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.995% * 99.7536% (0.28  10.0 10.00   1.21  98.32) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  13.44 +/- 1.07   0.005% *  0.2464% (0.69   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 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.96, residual support = 98.3:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.96  98.32) = 100.000%  kept
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.51, residual support = 98.3:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.947% * 99.6422% (1.00  10.0   1.51  98.32) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   9.53 +/- 0.64   0.035% *  0.0802% (0.61   1.0   0.02   1.94) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.63 +/- 1.02   0.012% *  0.0855% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  13.65 +/- 0.83   0.004% *  0.0294% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  15.77 +/- 0.92   0.002% *  0.0330% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  20.61 +/- 1.16   0.000% *  0.1296% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.917, support = 1.35, residual support = 5.72:
        T QG1   VAL   43 - HH2   TRP   27   2.52 +/- 0.71  80.252% * 87.5093% (0.92 10.00   1.34   5.52) =  98.187%  kept
          HG    LEU   31 - HH2   TRP   27   3.80 +/- 0.75  16.054% *  7.4864% (0.65  1.00   1.64  18.08) =   1.680%  kept
          QD2   LEU   73 - HH2   TRP   27   6.31 +/- 1.34   2.026% *  4.5767% (0.49  1.00   1.33   8.66) =   0.130%
          QG1   VAL   41 - HH2   TRP   27   5.68 +/- 0.73   1.530% *  0.1407% (1.00  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HH2   TRP   27   9.90 +/- 0.93   0.049% *  0.0392% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.65 +/- 1.16   0.063% *  0.0247% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.62 +/- 1.13   0.012% *  0.1024% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  11.74 +/- 0.86   0.012% *  0.0855% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  15.53 +/- 1.57   0.002% *  0.0352% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.916, support = 1.5, residual support = 5.68:
        T QG1   VAL   43 - HZ3   TRP   27   2.52 +/- 0.72  72.929% * 87.9705% (0.92 10.00   1.50   5.52) =  97.879%  kept
          HG    LEU   31 - HZ3   TRP   27   3.68 +/- 0.71   9.944% *  6.9832% (0.65  1.00   1.70  18.08) =   1.059%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.58 +/- 1.46  14.869% *  4.6610% (0.49  1.00   1.51   8.66) =   1.057%  kept
          QG1   VAL   41 - HZ3   TRP   27   4.91 +/- 0.66   2.075% *  0.1268% (1.00  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HZ3   TRP   27   7.93 +/- 0.92   0.130% *  0.0353% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  10.10 +/- 1.00   0.024% *  0.0923% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HZ3   TRP   27  10.97 +/- 0.85   0.014% *  0.0771% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  11.62 +/- 1.21   0.013% *  0.0223% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  15.21 +/- 1.47   0.002% *  0.0317% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 1.48, residual support = 8.66:
        T QD1   LEU   73 - HZ3   TRP   27   2.70 +/- 1.49  70.955% * 97.8553% (0.90 10.00   1.48   8.66) =  99.984%  kept
          QG2   VAL   41 - HZ3   TRP   27   3.27 +/- 0.80  23.207% *  0.0409% (0.28  1.00   0.02   0.02) =   0.014%
          QD2   LEU   98 - HZ3   TRP   27   4.71 +/- 1.27   5.421% *  0.0227% (0.15  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HZ3   TRP   27   6.74 +/- 0.53   0.305% *  0.0775% (0.53  1.00   0.02  11.95) =   0.000%
        T QD1   LEU   63 - HZ3   TRP   27  11.56 +/- 1.62   0.007% *  1.3202% (0.90 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  11.43 +/- 0.99   0.008% *  0.4544% (0.31 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HZ3   TRP   27   8.38 +/- 0.99   0.087% *  0.0227% (0.15  1.00   0.02  11.95) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  12.19 +/- 2.02   0.006% *  0.1230% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  16.21 +/- 2.53   0.003% *  0.0833% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 1 structures by 0.19 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 2.68, residual support = 18.1:
        T QD2   LEU   31 - HZ3   TRP   27   2.26 +/- 0.43  99.418% * 99.7565% (0.76 10.00   2.68  18.08) =  99.999%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.88 +/- 2.05   0.534% *  0.1302% (1.00  1.00   0.02   2.70) =   0.001%
          QD1   ILE   89 - HZ3   TRP   27   8.80 +/- 0.59   0.047% *  0.1132% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 2.78, residual support = 18.1:
          QD2   LEU   31 - HH2   TRP   27   2.82 +/- 0.39  96.948% * 98.2734% (0.76   2.78  18.08) =  99.971%  kept
          QG2   VAL   83 - HH2   TRP   27   6.40 +/- 2.39   2.761% *  0.9236% (1.00   0.02   2.70) =   0.027%
          QD1   ILE   89 - HH2   TRP   27   8.03 +/- 0.99   0.291% *  0.8029% (0.87   0.02   0.02) =   0.002%
    Distance limit 4.18 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 = 0.981, support = 1.43, residual support = 8.73:
          QD1   LEU   73 - HH2   TRP   27   4.44 +/- 1.21  35.116% * 51.6667% (1.00   1.44   8.66) =  95.316%  kept
          QD2   LEU   80 - HH2   TRP   27   7.32 +/- 0.50   1.695% * 43.4554% (0.76   1.58  11.95) =   3.869%  kept
          QG1   VAL   83 - HH2   TRP   27   7.45 +/- 2.69   3.599% *  2.6681% (0.15   0.48   2.70) =   0.504%  kept
          QG2   VAL   41 - HH2   TRP   27   3.84 +/- 0.74  59.310% *  0.0975% (0.14   0.02   0.02) =   0.304%
          QD1   LEU  104 - HH2   TRP   27  10.75 +/- 1.05   0.137% *  0.3791% (0.53   0.02   0.02) =   0.003%
          QD1   LEU   63 - HH2   TRP   27  12.02 +/- 1.80   0.069% *  0.7190% (1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HH2   TRP   27  12.76 +/- 2.19   0.051% *  0.4371% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  16.36 +/- 2.56   0.023% *  0.5770% (0.80   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 1 structures by 0.14 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.21, residual support = 98.3:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.21  98.32) = 100.000%  kept
    Distance limit 3.60 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 = 0.951, support = 1.21, residual support = 16.5:
          HZ2   TRP   87 - HZ2   TRP   27   3.92 +/- 5.48  89.677% * 24.7483% (0.98   0.75   6.06) =  74.362%  kept
          HD21  ASN   28 - HZ2   TRP   27   5.58 +/- 0.48  10.270% * 74.5034% (0.87   2.55  46.86) =  25.637%  kept
          QE    PHE   60 - HZ2   TRP   27  13.01 +/- 1.25   0.048% *  0.4625% (0.69   0.02   0.02) =   0.001%
          HN    LEU   63 - HZ2   TRP   27  19.14 +/- 1.06   0.004% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  21.25 +/- 1.13   0.001% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.35, residual support = 98.3:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.35  98.32) = 100.000%  kept
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 6.06:
          HE1   TRP   87 - HZ2   TRP   27   5.50 +/- 4.09 100.000% *100.0000% (0.92   2.00   6.06) = 100.000%  kept
    Distance limit 4.44 A violated in 2 structures by 1.42 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.624, support = 2.9, residual support = 13.9:
        T QD2   LEU   31 - HZ2   TRP   27   3.79 +/- 0.54  57.841% * 59.1391% (0.49 10.00   3.98  18.08) =  66.507%  kept
        T QG2   VAL   43 - HZ2   TRP   27   4.17 +/- 0.90  42.159% * 40.8609% (0.90 10.00   0.75   5.52) =  33.493%  kept
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 2.02, residual support = 11.9:
        T QD1   ILE   89 - QD    PHE   45   3.03 +/- 0.47  88.127% * 91.0083% (0.90 10.00   2.02  12.06) =  98.723%  kept
          QG2   VAL   83 - QD    PHE   45   4.84 +/- 1.05  11.632% *  8.9180% (1.00  1.00   1.76   1.02) =   1.277%  kept
          QD2   LEU   31 - QD    PHE   45   8.42 +/- 0.43   0.241% *  0.0737% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.969, support = 2.81, residual support = 8.82:
          QD1   ILE   89 - QE    PHE   45   3.13 +/- 0.83  56.328% * 64.1534% (0.97   3.24  12.06) =  70.626%  kept
          QG2   VAL   83 - QE    PHE   45   3.56 +/- 1.63  42.209% * 35.5979% (0.98   1.77   1.02) =  29.367%  kept
          QD2   LEU   31 - QE    PHE   45   7.04 +/- 0.44   1.463% *  0.2487% (0.61   0.02   0.02) =   0.007%
    Distance limit 3.78 A violated in 2 structures by 0.14 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.8:
        T QG1   VAL   75 - QD    PHE   45   2.41 +/- 0.54  99.962% * 99.9034% (1.00 10.00   2.96  17.84) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.27 +/- 2.04   0.038% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.8:
        T HB    VAL   75 - QD    PHE   45   3.54 +/- 0.51  97.537% * 99.7392% (0.99 10.00   2.00  17.84) =  99.999%  kept
          HG3   LYS+  74 - QD    PHE   45   7.83 +/- 0.68   1.340% *  0.0378% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   45   9.17 +/- 1.07   0.491% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45   9.93 +/- 0.62   0.253% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  11.59 +/- 1.41   0.147% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  10.74 +/- 1.72   0.172% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.76 +/- 0.74   0.060% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.63, support = 2.33, residual support = 8.84:
        T QG2   THR   77 - QD    PHE   45   2.95 +/- 0.84  84.909% * 76.1631% (0.65 10.00   2.25   8.44) =  96.194%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.47 +/- 0.07  10.973% * 23.2995% (0.20 10.00   4.41  19.03) =   3.803%  kept
          HB3   LEU   80 - QD    PHE   45   6.22 +/- 1.11   3.562% *  0.0442% (0.38  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QD    PHE   45   7.70 +/- 0.55   0.440% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45  11.26 +/- 1.26   0.057% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.52 +/- 0.67   0.029% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  13.55 +/- 2.22   0.024% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.20 +/- 0.57   0.005% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.67 +/- 0.64   0.002% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.766, support = 0.75, residual support = 26.1:
          QG2   THR   94 - QD    PHE   45   3.26 +/- 0.62  83.401% * 67.1270% (0.80   0.75  27.15) =  92.950%  kept
          HG12  ILE   89 - QD    PHE   45   4.68 +/- 0.52  16.401% * 25.8744% (0.31   0.75  12.06) =   7.046%  kept
          HG3   LYS+ 111 - QD    PHE   45  13.45 +/- 2.03   0.124% *  0.8390% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   71 - QD    PHE   45  12.92 +/- 1.03   0.038% *  2.2157% (0.99   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  15.80 +/- 2.04   0.022% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  15.69 +/- 1.74   0.014% *  1.7084% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 17.8:
        T QG1   VAL   75 - QE    PHE   45   2.62 +/- 0.47  99.965% * 99.9191% (0.90 10.00   2.31  17.84) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.53 +/- 2.11   0.035% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.589, support = 0.694, residual support = 11.1:
          HB    ILE   89 - QE    PHE   45   4.38 +/- 1.20  16.578% * 94.4406% (0.61   0.75  12.06) =  92.337%  kept
          HB    VAL   43 - QE    PHE   45   2.79 +/- 0.63  83.279% *  1.5584% (0.38   0.02   0.02) =   7.654%  kept
          QD    LYS+  81 - QE    PHE   45   9.66 +/- 0.87   0.080% *  1.2816% (0.31   0.02   0.02) =   0.006%
          QG1   ILE   56 - QE    PHE   45  11.29 +/- 1.18   0.035% *  0.6407% (0.15   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QE    PHE   45  13.07 +/- 0.63   0.014% *  1.1545% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  12.89 +/- 0.51   0.015% *  0.9244% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.47 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 = 9.72:
          HB3   MET   96 - QE    PHE   45   3.04 +/- 0.58  99.884% * 93.6218% (0.45   2.00   9.72) =  99.998%  kept
          HB    VAL   18 - QE    PHE   45  11.29 +/- 1.07   0.065% *  1.4345% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - QE    PHE   45  13.50 +/- 0.46   0.020% *  1.7443% (0.84   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QE    PHE   45  16.08 +/- 1.62   0.009% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   67 - QE    PHE   45  14.19 +/- 1.26   0.018% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  19.86 +/- 1.43   0.003% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.96, residual support = 9.71:
        T HB2   MET   96 - QE    PHE   45   3.59 +/- 0.38  95.819% * 89.0413% (0.22 10.00   1.96   9.72) =  99.893%  kept
          HB3   ASP-  76 - QE    PHE   45   8.60 +/- 0.80   1.016% *  8.4829% (0.73  1.00   0.57   0.02) =   0.101%
          QG    GLN   90 - QE    PHE   45   7.49 +/- 1.21   2.472% *  0.0908% (0.22  1.00   0.02   0.02) =   0.003%
        T HB3   PHE   72 - QE    PHE   45  10.25 +/- 0.75   0.227% *  0.7146% (0.18 10.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QE    PHE   45  10.65 +/- 1.35   0.225% *  0.3767% (0.92  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   45  11.59 +/- 1.06   0.114% *  0.3938% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   45  13.14 +/- 0.50   0.046% *  0.3660% (0.90  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    PHE   45  13.48 +/- 2.06   0.058% *  0.2147% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.53 +/- 0.76   0.012% *  0.2640% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.78 +/- 1.11   0.009% *  0.0552% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.5:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.812% * 99.8696% (0.53  10.0 10.00   1.00  80.46) = 100.000%  kept
          HZ3   TRP   27 - QE    PHE   45   6.46 +/- 0.59   0.188% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.52, residual support = 80.5:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.52  80.46) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.98 +/- 2.87   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.14 +/- 1.88   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.97 +/- 1.23   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 9.72:
          HB3   MET   96 - QD    PHE   45   4.62 +/- 0.49  98.275% * 96.5080% (0.80   2.00   9.72) =  99.991%  kept
          HB    VAL   18 - QD    PHE   45  10.45 +/- 1.04   1.147% *  0.4111% (0.34   0.02   0.02) =   0.005%
          HB3   ARG+  54 - QD    PHE   45  13.92 +/- 1.56   0.258% *  0.7310% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   40 - QD    PHE   45  14.63 +/- 0.41   0.112% *  1.2052% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD    PHE   45  13.99 +/- 1.30   0.186% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  19.90 +/- 1.39   0.019% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  28.22 +/- 1.61   0.002% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 1 structures by 0.16 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.871, support = 1.92, residual support = 8.96:
          HB2   MET   96 - QD    PHE   45   5.40 +/- 0.35  81.003% * 63.6331% (0.87   2.00   9.72) =  92.217%  kept
          HB3   ASP-  76 - QD    PHE   45   7.50 +/- 0.60  12.778% * 33.8849% (0.92   1.00   0.02) =   7.746%  kept
          HG3   MET   92 - QD    PHE   45   9.59 +/- 1.12   3.492% *  0.2502% (0.34   0.02   0.02) =   0.016%
          HB2   ASP- 105 - QD    PHE   45  11.08 +/- 1.17   1.598% *  0.5327% (0.73   0.02   0.02) =   0.015%
          HB    VAL   70 - QD    PHE   45  14.18 +/- 0.76   0.270% *  0.3289% (0.45   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.06 +/- 0.74   0.288% *  0.2753% (0.38   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  14.30 +/- 0.54   0.254% *  0.2040% (0.28   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   45  14.29 +/- 0.54   0.258% *  0.1829% (0.25   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  18.20 +/- 0.69   0.060% *  0.7080% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.36 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 80.5:
      O T HB3   PHE   45 - QD    PHE   45   2.32 +/- 0.11  99.886% * 99.5701% (0.80  10.0 10.00   4.93  80.46) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.65 +/- 0.97   0.043% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.02 +/- 0.61   0.064% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.47 +/- 1.69   0.003% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.88 +/- 0.58   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.46 +/- 0.90   0.002% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 80.5:
      O T HB2   PHE   45 - QD    PHE   45   2.65 +/- 0.04  99.873% * 99.8423% (0.97  10.0 10.00   4.22  80.46) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.56 +/- 1.04   0.112% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.04 +/- 1.82   0.015% *  0.1032% (1.00   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 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   3.12 +/- 0.62  98.672% * 93.8952% (0.69   2.96  27.15) =  99.992%  kept
          QB    SER   85 - QD    PHE   45   8.56 +/- 1.23   0.498% *  0.8745% (0.95   0.02   0.02) =   0.005%
          QB    SER   48 - QD    PHE   45   9.49 +/- 0.86   0.256% *  0.7403% (0.80   0.02   0.02) =   0.002%
          HA    ALA   88 - QD    PHE   45   8.36 +/- 0.42   0.440% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  11.49 +/- 1.06   0.059% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  14.03 +/- 1.03   0.018% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  15.90 +/- 0.94   0.009% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  13.64 +/- 0.97   0.023% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.41 +/- 1.54   0.006% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.52 +/- 0.80   0.005% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.44 +/- 1.76   0.006% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.09 +/- 0.58   0.008% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 4.31, residual support = 18.9:
          HA    ASP-  44 - QD    PHE   45   2.69 +/- 0.42  91.872% * 82.9879% (0.34   4.35  19.03) =  98.834%  kept
          HB    THR   77 - QD    PHE   45   5.22 +/- 1.17   7.704% * 11.6615% (0.28   0.75   8.44) =   1.165%  kept
          HA    ASP-  86 - QD    PHE   45   9.69 +/- 1.06   0.052% *  1.0963% (0.98   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45   8.34 +/- 1.30   0.130% *  0.3110% (0.28   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   8.02 +/- 0.80   0.202% *  0.1726% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  13.65 +/- 0.62   0.008% *  0.9342% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.46 +/- 1.32   0.031% *  0.2213% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.06 +/- 1.01   0.001% *  1.1160% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.36 +/- 1.19   0.000% *  1.0794% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  27.99 +/- 1.53   0.000% *  0.4198% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 80.5:
          HA    PHE   45 - QD    PHE   45   3.06 +/- 0.40  98.666% * 96.7742% (0.25   4.93  80.46) =  99.994%  kept
          HA    MET   92 - QD    PHE   45   7.36 +/- 1.40   1.274% *  0.3924% (0.25   0.02   0.02) =   0.005%
          HA    VAL   41 - QD    PHE   45  10.98 +/- 0.29   0.055% *  1.2600% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.99 +/- 2.16   0.005% *  1.5735% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 5.59, residual support = 78.6:
          HN    PHE   45 - QD    PHE   45   1.99 +/- 0.40  96.133% * 56.0893% (0.45   5.62  80.46) =  96.993%  kept
          HN    ASP-  44 - QD    PHE   45   4.17 +/- 0.35   3.853% * 43.3885% (0.45   4.35  19.03) =   3.007%  kept
          HN    ALA  110 - QD    PHE   45  10.37 +/- 1.92   0.012% *  0.3056% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  12.33 +/- 0.53   0.003% *  0.2166% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 80.5:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.994% * 99.7606% (0.98  10.0   1.00  80.46) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.22 +/- 0.85   0.006% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.51 +/- 1.20   0.000% *  0.0628% (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 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.584, support = 4.16, residual support = 49.9:
          HN    TRP   49 - HD1   TRP   49   2.42 +/- 0.73  78.341% * 34.4126% (0.38   4.59  74.65) =  65.581%  kept
          HN    CYS   50 - HD1   TRP   49   3.35 +/- 1.38  21.653% * 65.3450% (0.98   3.34   2.72) =  34.419%  kept
          HN    VAL   83 - HD1   TRP   49  15.52 +/- 1.63   0.006% *  0.2425% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.05, residual support = 74.7:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.05  74.65) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 74.7:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  74.65) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  18.41 +/- 1.51   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.38 +/- 2.42   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 74.7:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  74.65) = 100.000%  kept
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 74.7:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.998% * 99.8708% (1.00  10.0   1.00  74.65) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  22.44 +/- 3.80   0.002% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.869, support = 1.54, residual support = 9.62:
          QD1   ILE   89 - HZ    PHE   45   3.65 +/- 1.27  65.018% * 61.9834% (0.84   1.73  12.06) =  77.833%  kept
          QG2   VAL   83 - HZ    PHE   45   4.44 +/- 1.85  30.667% * 37.3307% (0.99   0.88   1.02) =  22.110%  kept
          QD2   LEU   31 - HZ    PHE   45   7.27 +/- 0.60   4.315% *  0.6859% (0.80   0.02   0.02) =   0.057%
    Distance limit 4.59 A violated in 2 structures by 0.22 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.79, residual support = 74.7:
      O T HB2   TRP   49 - HD1   TRP   49   3.83 +/- 0.08  99.740% * 99.5547% (0.65  10.0 10.00   3.79  74.65) = 100.000%  kept
          HA    VAL   75 - HD1   TRP   49  13.82 +/- 1.88   0.067% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  13.49 +/- 1.16   0.067% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  14.59 +/- 3.29   0.081% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  15.00 +/- 1.69   0.037% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.01 +/- 2.10   0.004% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  22.40 +/- 2.42   0.003% *  0.0871% (0.57   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 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 3.79, residual support = 74.7:
      O T HB3   TRP   49 - HD1   TRP   49   2.98 +/- 0.30  99.995% * 99.9191% (0.90  10.0 10.00   3.79  74.65) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.85 +/- 1.28   0.005% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.69, residual support = 15.9:
          QB    ALA   47 - HD1   TRP   49   2.76 +/- 1.19  99.933% * 99.0042% (0.84   3.69  15.93) = 100.000%  kept
          HG2   LYS+ 112 - HD1   TRP   49  17.11 +/- 3.04   0.051% *  0.2412% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD1   TRP   49  16.19 +/- 1.34   0.008% *  0.4666% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  16.81 +/- 1.54   0.007% *  0.2881% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 0.739, residual support = 3.42:
          HB3   PRO   52 - HZ2   TRP   49   5.11 +/- 1.22  90.549% * 69.1350% (0.87  1.00   0.75   3.47) =  98.504%  kept
        T HG    LEU  123 - HZ2   TRP   49  23.69 +/- 4.58   4.898% * 18.4360% (0.87 10.00   0.02   0.02) =   1.421%  kept
          HB3   GLN   90 - HZ2   TRP   49  10.58 +/- 2.44   2.460% *  0.9529% (0.45  1.00   0.02   0.02) =   0.037%
          HG2   ARG+  54 - HZ2   TRP   49  10.45 +/- 0.99   1.094% *  1.4599% (0.69  1.00   0.02   0.02) =   0.025%
          QB    LYS+  81 - HZ2   TRP   49  13.36 +/- 2.89   0.777% *  0.7977% (0.38  1.00   0.02   0.02) =   0.010%
          QB    LYS+ 106 - HZ2   TRP   49  15.52 +/- 1.70   0.148% *  0.7250% (0.34  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HZ2   TRP   49  21.68 +/- 1.61   0.018% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.62 +/- 2.35   0.011% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.89 +/- 2.47   0.013% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  21.76 +/- 1.29   0.016% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  24.27 +/- 1.50   0.008% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.39 +/- 1.41   0.005% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  29.34 +/- 1.27   0.003% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 5 structures by 0.50 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 15.9:
          QB    ALA   47 - HZ2   TRP   49   4.02 +/- 0.73  99.802% * 98.0051% (0.69   2.03  15.93) =  99.999%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  14.38 +/- 3.56   0.136% *  0.3498% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   42 - HZ2   TRP   49  15.82 +/- 1.06   0.038% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.07 +/- 0.96   0.024% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.15 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.358, support = 0.726, residual support = 3.36:
          HG2   PRO   52 - HH2   TRP   49   4.32 +/- 0.93  66.330% * 73.0242% (0.34   0.75   3.47) =  96.676%  kept
          HG2   MET   92 - HH2   TRP   49   5.91 +/- 2.66  33.495% *  4.9520% (0.87   0.02   0.02) =   3.311%  kept
          QG    GLU- 114 - HH2   TRP   49  13.51 +/- 2.34   0.127% *  4.5712% (0.80   0.02   0.02) =   0.012%
          HB2   GLU-  79 - HH2   TRP   49  17.67 +/- 2.54   0.019% *  4.1454% (0.73   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HH2   TRP   49  15.99 +/- 2.24   0.025% *  0.9998% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  26.91 +/- 1.69   0.001% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  36.48 +/- 2.23   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.03 +/- 2.39   0.001% *  0.8808% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  28.84 +/- 2.37   0.001% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  36.59 +/- 2.62   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.47:
          HB3   PRO   52 - HH2   TRP   49   4.76 +/- 0.81  93.232% * 92.8146% (0.87   2.00   3.47) =  99.934%  kept
          HG    LEU  123 - HH2   TRP   49  23.81 +/- 5.16   4.871% *  0.9281% (0.87   0.02   0.02) =   0.052%
          HG2   ARG+  54 - HH2   TRP   49  10.05 +/- 1.10   1.015% *  0.7350% (0.69   0.02   0.02) =   0.009%
          HB3   GLN   90 - HH2   TRP   49  12.10 +/- 2.76   0.601% *  0.4797% (0.45   0.02   0.02) =   0.003%
          QB    LYS+  81 - HH2   TRP   49  15.08 +/- 2.87   0.179% *  0.4016% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  16.45 +/- 2.05   0.066% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.54 +/- 2.40   0.008% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.92 +/- 2.76   0.005% *  0.7770% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  24.25 +/- 2.81   0.006% *  0.6490% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.01 +/- 2.35   0.009% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.60 +/- 2.13   0.004% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.61 +/- 2.04   0.002% *  0.5629% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  29.89 +/- 2.40   0.001% *  0.8177% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 1 structures by 0.39 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.28, residual support = 20.2:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.01  99.581% * 99.2903% (0.25  10.0   2.28  20.19) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   7.02 +/- 0.91   0.121% *  0.2415% (0.61   1.0   0.02   3.25) =   0.000%
          HD3   PRO   93 - QD    PHE   55   7.91 +/- 2.07   0.209% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.62 +/- 0.77   0.090% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.51 +/- 1.07   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 2.01, residual support = 19.1:
          HA    PHE   55 - QD    PHE   55   2.99 +/- 0.34  93.417% * 54.4318% (0.84   2.04  20.19) =  94.649%  kept
          HA    ALA  110 - QD    PHE   55   6.49 +/- 3.89   6.469% * 44.4326% (1.00   1.39   0.19) =   5.350%  kept
          HA    ALA   91 - QD    PHE   55  11.83 +/- 2.15   0.062% *  0.1422% (0.22   0.02   0.02) =   0.000%
          HA    VAL  107 - QD    PHE   55  11.44 +/- 1.72   0.040% *  0.2178% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  15.04 +/- 1.72   0.009% *  0.6163% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.63 +/- 0.95   0.003% *  0.1592% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.55, support = 1.47, residual support = 2.83:
          HB3   LEU  115 - QD    PHE   55   6.54 +/- 1.91  26.905% * 54.2063% (0.31  1.00   2.54   5.43) =  50.440%  kept
          QB    ALA  110 - QD    PHE   55   5.37 +/- 3.76  66.571% * 21.3660% (0.80  1.00   0.39   0.19) =  49.192%  kept
          QB    ALA   61 - QD    PHE   55   9.74 +/- 0.82   5.195% *  1.3326% (0.97  1.00   0.02   0.02) =   0.239%
        T QG    LYS+  66 - QD    PHE   55  14.02 +/- 1.18   0.231% * 13.0623% (0.95 10.00   0.02   0.02) =   0.105%
        T HG    LEU   67 - QD    PHE   55  18.51 +/- 1.68   0.054% *  3.0743% (0.22 10.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - QD    PHE   55  16.36 +/- 1.69   0.604% *  0.2418% (0.18  1.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - QD    PHE   55  18.62 +/- 0.95   0.056% *  1.3808% (1.00  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QD    PHE   55  19.74 +/- 1.77   0.067% *  1.1057% (0.80  1.00   0.02   0.02) =   0.003%
          HG12  ILE   19 - QD    PHE   55  20.58 +/- 1.62   0.073% *  1.0027% (0.73  1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - QD    PHE   55  20.47 +/- 1.96   0.062% *  1.1534% (0.84  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QD    PHE   55  16.14 +/- 1.52   0.121% *  0.2733% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD    PHE   55  19.99 +/- 1.77   0.035% *  0.4262% (0.31  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   55  20.92 +/- 1.24   0.020% *  0.4262% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  26.20 +/- 1.72   0.005% *  0.9485% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 6 structures by 0.76 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.98, residual support = 5.42:
          QD2   LEU  115 - QD    PHE   55   5.78 +/- 1.83  87.326% * 88.0275% (0.87  1.00   1.98   5.43) =  99.821%  kept
          QD1   LEU   63 - QD    PHE   55   9.79 +/- 0.78   8.118% *  1.0229% (1.00  1.00   0.02   0.02) =   0.108%
        T QD2   LEU   80 - QD    PHE   55  17.38 +/- 1.35   0.330% *  8.5627% (0.84 10.00   0.02   0.02) =   0.037%
          QD2   LEU   63 - QD    PHE   55  11.35 +/- 1.11   2.943% *  0.5394% (0.53  1.00   0.02   0.02) =   0.021%
          QD1   LEU   73 - QD    PHE   55  17.01 +/- 1.81   0.904% *  1.0229% (1.00  1.00   0.02   0.02) =   0.012%
          QD1   LEU  104 - QD    PHE   55  18.23 +/- 1.21   0.181% *  0.6218% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   55  18.20 +/- 1.28   0.196% *  0.2029% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 11 structures by 1.67 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   5.44 +/- 1.52  99.538% * 72.5341% (0.99   0.02   0.02) =  99.825%  kept
          HB3   TRP   49 - QE    PHE   95  14.66 +/- 2.00   0.462% * 27.4659% (0.38   0.02   0.02) =   0.175%
    Distance limit 4.28 A violated in 11 structures by 1.36 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.291, support = 2.75, residual support = 43.8:
          HB    VAL  107 - QE    PHE   95   4.32 +/- 0.64  80.492% * 63.6928% (0.28  1.00   2.86  45.62) =  96.029%  kept
          HB3   PHE   45 - QE    PHE   95   7.36 +/- 1.52   7.545% * 12.7913% (0.69  1.00   0.23   1.89) =   1.808%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.96 +/- 2.17   8.208% * 11.0094% (0.69 10.00   0.02   0.02) =   1.693%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.20 +/- 1.18   2.727% *  9.0740% (0.57 10.00   0.02   0.02) =   0.463%
          HG3   MET   96 - QE    PHE   95   9.57 +/- 1.09   0.967% *  0.3172% (0.20  1.00   0.02  11.99) =   0.006%
          HB3   ASP-  86 - QE    PHE   95  15.25 +/- 0.63   0.051% *  1.5161% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  20.45 +/- 1.30   0.010% *  1.5992% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.578, support = 0.38, residual support = 0.296:
          QG1   ILE   56 - QE    PHE   95   4.21 +/- 1.74  72.391% * 25.9183% (0.53   0.37   0.34) =  86.389%  kept
          QD    LYS+ 106 - QE    PHE   95   8.98 +/- 1.05   4.296% * 61.3477% (1.00   0.47   0.02) =  12.134%  kept
          HG3   PRO   93 - QE    PHE   95   6.28 +/- 1.90  13.905% *  0.9893% (0.38   0.02   0.02) =   0.633%  kept
          HB3   MET   92 - QE    PHE   95   7.89 +/- 1.64   3.797% *  2.1107% (0.80   0.02   0.02) =   0.369%
          HD2   LYS+ 111 - QE    PHE   95  10.30 +/- 1.69   2.481% *  1.8106% (0.69   0.02   0.02) =   0.207%
          HB2   LEU   73 - QE    PHE   95  10.26 +/- 1.57   1.234% *  2.4333% (0.92   0.02   0.02) =   0.138%
          QD    LYS+  99 - QE    PHE   95  13.81 +/- 1.75   0.525% *  2.6359% (1.00   0.02   0.02) =   0.064%
          HB3   LYS+  99 - QE    PHE   95  14.04 +/- 2.05   0.880% *  1.0837% (0.41   0.02   0.02) =   0.044%
          HB2   LEU  123 - QE    PHE   95  12.84 +/- 2.01   0.359% *  1.0837% (0.41   0.02   0.02) =   0.018%
          QD    LYS+ 102 - QE    PHE   95  15.89 +/- 1.98   0.133% *  0.5869% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.65 A violated in 3 structures by 0.27 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 = 0.677, support = 2.59, residual support = 44.8:
          QG2   VAL  107 - QE    PHE   95   3.68 +/- 0.94  89.851% * 73.7327% (0.69  1.00   2.61  45.62) =  97.291%  kept
          QG2   THR   94 - QE    PHE   95   5.97 +/- 0.33   7.782% * 23.5028% (0.34  1.00   1.68  14.39) =   2.686%  kept
          HG13  ILE  103 - QE    PHE   95  11.55 +/- 1.65   1.020% *  0.8199% (1.00  1.00   0.02   0.02) =   0.012%
        T QB    ALA   20 - QE    PHE   95  10.83 +/- 1.00   0.320% *  1.2679% (0.15 10.00   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - QE    PHE   95   9.58 +/- 1.72   0.630% *  0.3084% (0.38  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QE    PHE   95  12.34 +/- 2.31   0.397% *  0.3684% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.905, support = 2.41, residual support = 5.01:
          QD2   LEU  115 - QE    PHE   95   4.90 +/- 2.01  39.752% * 62.5905% (0.87  1.00   3.12   6.24) =  65.631%  kept
          QD1   LEU   63 - QE    PHE   95   3.99 +/- 1.57  50.656% * 24.6152% (1.00  1.00   1.07   2.65) =  32.891%  kept
          QD2   LEU   63 - QE    PHE   95   5.77 +/- 1.68   6.748% *  8.0939% (0.53  1.00   0.66   2.65) =   1.441%  kept
          QD1   LEU   73 - QE    PHE   95   9.43 +/- 1.65   2.604% *  0.4618% (1.00  1.00   0.02   0.02) =   0.032%
        T QD2   LEU   80 - QE    PHE   95  11.56 +/- 0.87   0.047% *  3.8662% (0.84 10.00   0.02   0.02) =   0.005%
          QD1   LEU  104 - QE    PHE   95  11.36 +/- 1.87   0.156% *  0.2807% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  12.54 +/- 0.95   0.038% *  0.0916% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.342, support = 1.49, residual support = 6.21:
        T QD1   LEU  115 - QE    PHE   95   4.52 +/- 2.37  74.185% * 98.3482% (0.34 10.00   1.50   6.24) =  99.493%  kept
          QB    ALA   64 - QE    PHE   95   6.56 +/- 1.41  23.486% *  1.5758% (0.57  1.00   0.14   0.02) =   0.505%  kept
          QG1   VAL   75 - QE    PHE   95   8.36 +/- 1.27   2.329% *  0.0761% (0.20  1.00   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 3 structures by 0.33 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 71.8:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  98.902% * 99.6243% (0.84  10.0   1.13  71.82) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   4.93 +/- 0.53   1.095% *  0.0326% (0.15   1.0   0.02  11.65) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  14.23 +/- 1.18   0.002% *  0.1896% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  16.64 +/- 0.74   0.001% *  0.1535% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.83, residual support = 71.8:
      O T HB3   PHE   60 - QD    PHE   60   2.62 +/- 0.14  99.692% * 99.7227% (0.73  10.0 10.00   3.83  71.82) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   7.89 +/- 1.55   0.256% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  11.96 +/- 1.65   0.016% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.04 +/- 1.70   0.026% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.90 +/- 0.63   0.007% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  15.75 +/- 1.24   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.81 +/- 1.46   0.001% *  0.0943% (0.69   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 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.96, support = 1.06, residual support = 3.24:
          QD1   ILE   56 - QD    PHE   60   4.99 +/- 1.70  80.786% * 44.5716% (0.99  1.00   0.99   3.98) =  80.366%  kept
          QD2   LEU   73 - QD    PHE   60   7.91 +/- 1.43  16.667% * 52.5811% (0.84  1.00   1.38   0.21) =  19.559%  kept
        T QG1   VAL   41 - QD    PHE   60  10.81 +/- 1.08   1.794% *  1.5956% (0.18 10.00   0.02   0.02) =   0.064%
          HG3   LYS+ 121 - QD    PHE   60  14.07 +/- 2.18   0.481% *  0.6258% (0.69  1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - QD    PHE   60  14.72 +/- 1.12   0.272% *  0.6258% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 10 structures by 1.00 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.83, residual support = 2.99:
          QB    ALA   64 - QD    PHE   60   3.65 +/- 0.80 100.000% *100.0000% (0.95   1.83   2.99) = 100.000%  kept
    Distance limit 3.83 A violated in 2 structures by 0.22 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   2.83 +/- 0.71  99.926% * 99.3264% (0.97   4.09  62.58) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97  11.16 +/- 1.75   0.059% *  0.4858% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.84 +/- 1.85   0.014% *  0.0996% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.62 +/- 1.80   0.001% *  0.0882% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.695, support = 1.07, residual support = 1.25:
          HA    ILE  119 - QD    PHE   97   8.49 +/- 4.23  41.211% * 56.2711% (0.76   1.12   0.80) =  56.927%  kept
          HA    THR  118 - QD    PHE   97   8.00 +/- 3.40  42.873% * 40.7191% (0.61   1.02   1.85) =  42.855%  kept
          HA    ALA   84 - QD    PHE   97  13.57 +/- 1.45   4.971% *  0.6407% (0.49   0.02   0.02) =   0.078%
          HA    VAL   75 - QD    PHE   97  12.89 +/- 0.89   4.304% *  0.6926% (0.53   0.02   0.02) =   0.073%
          HA2   GLY  109 - QD    PHE   97  13.15 +/- 1.10   5.000% *  0.4063% (0.31   0.02   0.02) =   0.050%
          HD3   PRO   58 - QD    PHE   97  14.59 +/- 2.05   1.440% *  0.3660% (0.28   0.02   0.02) =   0.013%
          HB2   TRP   49 - QD    PHE   97  21.54 +/- 1.21   0.200% *  0.9042% (0.69   0.02   0.02) =   0.004%
    Distance limit 4.17 A violated in 13 structures by 2.95 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.6:
      O T HB2   PHE   97 - QD    PHE   97   2.53 +/- 0.13  97.596% * 99.6874% (0.90  10.0 10.00   2.44  62.58) =  99.998%  kept
          QE    LYS+ 106 - QD    PHE   97   6.35 +/- 1.28   1.500% *  0.1051% (0.95   1.0  1.00   0.02   8.73) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.34 +/- 1.43   0.846% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97  10.23 +/- 2.22   0.053% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  13.51 +/- 0.77   0.005% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.6:
      O T HB3   PHE   97 - QD    PHE   97   2.42 +/- 0.16  99.974% * 99.7112% (1.00  10.0 10.00   2.74  62.58) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.69 +/- 0.99   0.016% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.82 +/- 2.18   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  15.71 +/- 2.17   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.47 +/- 0.88   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 1.02, residual support = 2.2:
          QG1   VAL  107 - QD    PHE   97   5.68 +/- 1.20  81.646% * 57.8815% (0.84   0.99   2.37) =  89.292%  kept
          HG13  ILE  119 - QD    PHE   97   9.39 +/- 3.71  14.564% * 38.7090% (0.41   1.34   0.80) =  10.652%  kept
          HB3   LEU   31 - QD    PHE   97  11.90 +/- 1.03   3.013% *  0.6294% (0.45   0.02   0.02) =   0.036%
          QG1   VAL   24 - QD    PHE   97  15.26 +/- 1.00   0.454% *  1.4040% (1.00   0.02   0.02) =   0.012%
          HD3   LYS+ 112 - QD    PHE   97  14.80 +/- 2.32   0.324% *  1.3762% (0.98   0.02   0.02) =   0.008%
    Distance limit 3.92 A violated in 14 structures by 1.59 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.71, support = 3.14, residual support = 15.8:
          HB2   LEU  104 - QD    PHE   97   3.76 +/- 1.10  83.164% * 60.9353% (0.69   3.30  17.29) =  91.031%  kept
          QD1   ILE  119 - QD    PHE   97   8.45 +/- 3.08  12.956% * 38.4554% (0.95   1.51   0.80) =   8.950%  kept
          QG2   VAL  108 - QD    PHE   97   7.45 +/- 0.86   3.590% *  0.2830% (0.53   0.02   0.02) =   0.018%
          HB    VAL   75 - QD    PHE   97  10.83 +/- 1.09   0.290% *  0.3262% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 0 structures by 0.11 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.41, residual support = 1.82:
          QG2   THR  118 - QD    PHE   97   5.56 +/- 3.29  59.307% * 97.6491% (0.20   1.43   1.85) =  98.375%  kept
          QG2   VAL   70 - QD    PHE   97   5.43 +/- 1.50  40.693% *  2.3509% (0.34   0.02   0.02) =   1.625%  kept
    Distance limit 4.21 A violated in 3 structures by 0.44 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.39 +/- 1.63  93.456% * 85.0969% (1.00   0.02   0.02) =  98.789%  kept
          QB    ALA   47 - QD    PHE   97  13.87 +/- 0.96   6.544% * 14.9031% (0.18   0.02   0.02) =   1.211%  kept
    Distance limit 4.54 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.89, residual support = 30.0:
          HN    LEU  115 - QD    PHE   59   4.97 +/- 0.59  89.892% * 99.0502% (0.97   2.89  30.00) =  99.979%  kept
          HN    ASP- 113 - QD    PHE   59   7.67 +/- 0.74   9.210% *  0.1405% (0.20   0.02   0.02) =   0.015%
          HN    PHE   97 - QD    PHE   59  12.19 +/- 2.20   0.893% *  0.6850% (0.97   0.02   0.02) =   0.007%
          HN    ALA   12 - QD    PHE   59  25.72 +/- 1.28   0.005% *  0.1243% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 2 structures by 0.36 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.94, residual support = 57.3:
          HA    PHE   59 - QD    PHE   59   2.86 +/- 0.56  87.389% * 77.9721% (0.61   3.02  58.51) =  96.675%  kept
          HA    ILE   56 - QD    PHE   59   4.55 +/- 1.04  12.061% * 19.3959% (0.61   0.75  20.73) =   3.319%  kept
          HA    ASP- 113 - QD    PHE   59   7.58 +/- 0.98   0.490% *  0.8509% (1.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QD    PHE   59  10.68 +/- 0.70   0.051% *  0.4151% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  17.34 +/- 2.03   0.005% *  0.6828% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  17.90 +/- 1.94   0.004% *  0.1316% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  22.98 +/- 2.05   0.001% *  0.5517% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.99, support = 2.15, residual support = 18.9:
        T HA    ILE  119 - QD    PHE   59   5.84 +/- 0.78  70.608% * 57.2824% (1.00 10.00   2.25  20.26) =  84.927%  kept
        T HA    THR  118 - QD    PHE   59   7.49 +/- 1.07  16.855% * 42.5607% (0.95 10.00   1.57  11.02) =  15.063%  kept
          HA2   GLY  109 - QD    PHE   59   9.93 +/- 2.28  11.834% *  0.0394% (0.69  1.00   0.02   0.02) =   0.010%
          HB2   TRP   49 - QD    PHE   59  16.21 +/- 1.42   0.170% *  0.0563% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  17.15 +/- 1.58   0.150% *  0.0498% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  15.12 +/- 1.81   0.382% *  0.0114% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 11 structures by 1.09 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 58.5:
      O   HB2   PHE   59 - QD    PHE   59   2.45 +/- 0.15  99.549% * 99.6982% (0.97  10.0   2.71  58.51) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.21 +/- 1.00   0.299% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.50 +/- 1.52   0.096% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59  10.20 +/- 1.54   0.036% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  12.43 +/- 1.41   0.007% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.50 +/- 1.25   0.013% *  0.0388% (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 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.15, residual support = 58.5:
      O   HB3   PHE   59 - QD    PHE   59   2.52 +/- 0.18  99.999% * 99.9680% (0.97  10.0   3.15  58.51) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.95 +/- 1.17   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.887, support = 2.68, residual support = 28.2:
          HB2   PRO   58 - QD    PHE   59   5.36 +/- 1.43  51.425% * 67.6652% (0.99   2.93  40.18) =  69.860%  kept
          HB2   GLN  116 - QD    PHE   59   5.64 +/- 1.11  47.476% * 31.6138% (0.65   2.10   0.59) =  30.132%  kept
          HB3   PHE   97 - QD    PHE   59  12.13 +/- 2.26   1.075% *  0.3726% (0.80   0.02   0.02) =   0.008%
          HB2   GLU- 100 - QD    PHE   59  21.29 +/- 1.90   0.019% *  0.2448% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  26.69 +/- 1.57   0.004% *  0.1036% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 3 structures by 0.42 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.7:
        T QG1   ILE   56 - QD    PHE   59   3.34 +/- 0.61  99.733% * 99.7160% (0.97 10.00   1.97  20.73) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  11.66 +/- 1.38   0.122% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  15.58 +/- 2.13   0.028% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  14.74 +/- 2.64   0.088% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  16.77 +/- 2.00   0.012% *  0.1045% (1.00  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  15.80 +/- 2.00   0.017% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.594, support = 2.45, residual support = 30.0:
          HB3   LEU  115 - QD    PHE   59   2.72 +/- 1.08  70.517% * 71.3318% (0.65   2.38  30.00) =  89.287%  kept
          HG    LEU  115 - QD    PHE   59   3.61 +/- 0.73  27.277% * 22.0872% (0.15   3.08  30.00) =  10.694%  kept
          QB    ALA   61 - QD    PHE   59   6.13 +/- 0.41   0.782% *  0.6378% (0.69   0.02   0.38) =   0.009%
          QB    ALA  110 - QD    PHE   59   7.21 +/- 1.63   0.611% *  0.4163% (0.45   0.02   0.02) =   0.005%
          QG    LYS+  66 - QD    PHE   59   7.93 +/- 0.95   0.157% *  0.8961% (0.97   0.02   0.02) =   0.002%
          QB    ALA  120 - QD    PHE   59   7.04 +/- 0.65   0.526% *  0.1433% (0.15   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  14.90 +/- 2.88   0.066% *  0.9264% (1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    PHE   59  11.56 +/- 1.74   0.033% *  0.4885% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    PHE   59  11.76 +/- 1.43   0.019% *  0.7755% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  14.52 +/- 2.23   0.006% *  0.6006% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  15.60 +/- 2.00   0.005% *  0.3485% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  21.04 +/- 2.33   0.001% *  0.8961% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  18.96 +/- 1.29   0.001% *  0.4519% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.443, support = 3.17, residual support = 18.8:
        T HG13  ILE  119 - QD    PHE   59   3.59 +/- 0.78  65.570% * 75.9146% (0.41 10.00   3.39  20.26) =  92.709%  kept
        T QG1   VAL  107 - QD    PHE   59   5.20 +/- 1.19  16.198% * 21.0206% (0.84 10.00   0.27   0.11) =   6.341%  kept
          HD3   LYS+ 112 - QD    PHE   59   5.75 +/- 1.79  18.228% *  2.7974% (0.98  1.00   0.31   0.51) =   0.950%  kept
          QG1   VAL   24 - QD    PHE   59  18.99 +/- 1.57   0.003% *  0.1847% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  20.61 +/- 1.81   0.002% *  0.0828% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.929, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.19 +/- 0.91  80.244% * 60.0043% (0.98   0.02   0.02) =  91.739%  kept
          HG3   LYS+ 121 - QD    PHE   59  11.25 +/- 1.07  16.349% * 22.9752% (0.38   0.02   0.02) =   7.157%  kept
          HB3   LEU  104 - QD    PHE   59  14.77 +/- 1.97   3.406% * 17.0205% (0.28   0.02   0.02) =   1.105%  kept
    Distance limit 4.55 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 4.61, residual support = 29.2:
          QD2   LEU  115 - QD    PHE   59   2.38 +/- 0.78  81.894% * 83.0072% (0.98   4.71  30.00) =  97.274%  kept
          QD1   LEU   63 - QD    PHE   59   4.35 +/- 1.46  12.026% * 15.7800% (0.92   0.95   0.10) =   2.715%  kept
          QD2   LEU   63 - QD    PHE   59   5.71 +/- 1.48   6.061% *  0.1227% (0.34   0.02   0.10) =   0.011%
          QD1   LEU   73 - QD    PHE   59  13.08 +/- 2.49   0.015% *  0.3321% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD    PHE   59  13.19 +/- 1.89   0.002% *  0.2881% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  15.76 +/- 1.37   0.001% *  0.3472% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  17.00 +/- 1.48   0.001% *  0.1227% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 4.4, residual support = 30.0:
        T QD1   LEU  115 - QD    PHE   59   3.13 +/- 0.79  98.240% * 99.9042% (0.84 10.00   4.40  30.00) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   7.45 +/- 1.00   1.688% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  12.60 +/- 1.64   0.072% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 1.49, residual support = 29.9:
        T HA    LEU  115 - QE    PHE   59   3.58 +/- 1.21  94.472% * 91.6029% (0.73 10.00   1.50  30.00) =  99.649%  kept
          HA    GLU- 114 - QE    PHE   59   7.00 +/- 0.96   4.047% *  7.4738% (1.00  1.00   0.89   0.02) =   0.348%
        T HA    ARG+  54 - QE    PHE   59  10.24 +/- 1.25   0.497% *  0.3329% (0.20 10.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59   9.37 +/- 1.64   0.954% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  20.77 +/- 3.46   0.011% *  0.1649% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  20.51 +/- 3.40   0.009% *  0.1459% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  21.56 +/- 3.38   0.006% *  0.1155% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  23.09 +/- 3.06   0.004% *  0.1347% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 1 structures by 0.18 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.67, residual support = 11.0:
        T HB    THR  118 - QE    PHE   59   4.60 +/- 1.87  99.643% * 99.7170% (0.95 10.00   1.67  11.02) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  15.31 +/- 2.80   0.182% *  0.0764% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  19.15 +/- 3.27   0.083% *  0.0564% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  22.01 +/- 3.37   0.032% *  0.0764% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  20.47 +/- 1.41   0.044% *  0.0518% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  23.68 +/- 2.82   0.016% *  0.0220% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 10 structures by 1.06 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.898, support = 0.542, residual support = 0.691:
          QE    LYS+ 112 - QE    PHE   59   5.79 +/- 1.67  43.290% * 56.9600% (1.00   0.60   0.51) =  66.341%  kept
          HB    VAL  107 - QE    PHE   59   6.91 +/- 2.88  36.124% * 29.4861% (0.80   0.39   0.11) =  28.658%  kept
          HB3   ASP-  62 - QE    PHE   59   6.57 +/- 0.89  20.231% *  9.1558% (0.14   0.71   6.41) =   4.984%  kept
          HB3   PHE   45 - QE    PHE   59  12.97 +/- 3.27   0.336% *  1.9063% (1.00   0.02   0.02) =   0.017%
          HB3   ASP-  86 - QE    PHE   59  20.93 +/- 3.06   0.010% *  0.8566% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  25.60 +/- 3.35   0.003% *  1.1588% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  23.08 +/- 3.34   0.006% *  0.4764% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.05 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.1, residual support = 20.3:
          HG12  ILE  119 - QE    PHE   59   3.67 +/- 1.20  98.938% * 96.1037% (0.73   4.10  20.26) =  99.993%  kept
          HB2   ASP-  44 - QE    PHE   59   9.99 +/- 3.41   0.719% *  0.6405% (0.99   0.02   0.02) =   0.005%
          HB3   PHE   72 - QE    PHE   59  11.98 +/- 2.99   0.159% *  0.6448% (1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   59  15.19 +/- 2.13   0.048% *  0.6334% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  13.44 +/- 1.93   0.097% *  0.1611% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  16.51 +/- 2.18   0.025% *  0.6113% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  19.17 +/- 1.97   0.011% *  0.6448% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.24 +/- 1.68   0.002% *  0.3400% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  23.80 +/- 3.34   0.003% *  0.2204% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 2 structures by 0.34 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.734, support = 3.36, residual support = 17.3:
          HG13  ILE  119 - QE    PHE   59   3.97 +/- 1.28  46.241% * 75.2540% (0.73   3.85  20.26) =  85.034%  kept
          HD3   LYS+ 112 - QE    PHE   59   6.33 +/- 2.25  23.636% * 15.7760% (0.95   0.62   0.51) =   9.112%  kept
          QG1   VAL  107 - QE    PHE   59   5.11 +/- 2.16  30.106% *  7.9569% (0.53   0.56   0.11) =   5.854%  kept
          QB    ALA   20 - QE    PHE   59  14.42 +/- 2.16   0.014% *  0.1343% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  19.53 +/- 2.69   0.002% *  0.4672% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  20.89 +/- 3.46   0.001% *  0.4116% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.83, support = 2.68, residual support = 26.8:
        T QD2   LEU  115 - QE    PHE   59   3.01 +/- 0.77  56.357% * 84.4928% (0.87 10.00   2.94  30.00) =  89.180%  kept
        T QD1   LEU   63 - QE    PHE   59   4.73 +/- 2.58  41.657% * 13.8439% (0.53 10.00   0.54   0.10) =  10.801%  kept
        T QD1   LEU   73 - QE    PHE   59  13.49 +/- 3.67   1.946% *  0.5125% (0.53 10.00   0.02   0.02) =   0.019%
        T QD1   LEU  104 - QE    PHE   59  12.97 +/- 2.99   0.011% *  0.9719% (1.00 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  12.04 +/- 2.47   0.026% *  0.0171% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  16.33 +/- 2.58   0.003% *  0.0874% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  17.53 +/- 2.57   0.001% *  0.0744% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.93, residual support = 29.6:
          QD1   LEU  115 - QE    PHE   59   3.81 +/- 1.04  94.412% * 79.3614% (0.45   2.96  30.00) =  98.614%  kept
          QB    ALA   64 - QE    PHE   59   8.40 +/- 1.68   5.179% * 20.3057% (0.45   0.76   0.02) =   1.384%  kept
          QG1   VAL   75 - QE    PHE   59  13.12 +/- 2.81   0.409% *  0.3329% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.9, residual support = 11.0:
          QG2   THR  118 - QE    PHE   59   4.57 +/- 1.97 100.000% *100.0000% (0.80   3.90  11.02) = 100.000%  kept
    Distance limit 4.39 A violated in 11 structures by 1.02 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 71.8:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  98.409% * 99.6780% (0.99  10.0   1.13  71.82) =  99.999%  kept
          QE    PHE   59 - QE    PHE   60   8.27 +/- 2.41   1.557% *  0.0496% (0.28   1.0   0.02  20.26) =   0.001%
          HN    LYS+  66 - QE    PHE   60   8.71 +/- 0.95   0.033% *  0.1362% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.40 +/- 1.14   0.001% *  0.1362% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.819, support = 1.25, residual support = 3.69:
          HB2   ASP-  44 - QE    PHE   60   3.87 +/- 1.20  70.227% * 20.8824% (0.76   0.75   0.86) =  50.573%  kept
          HB3   PHE   72 - QE    PHE   60   5.21 +/- 1.46  22.418% * 59.2182% (0.87   1.87   7.11) =  45.781%  kept
          HG12  ILE  119 - QE    PHE   60   9.35 +/- 2.15   6.215% * 16.9345% (0.98   0.47   0.02) =   3.630%  kept
          HG3   MET   92 - QE    PHE   60  11.73 +/- 2.65   0.617% *  0.4125% (0.57   0.02   0.02) =   0.009%
          QG    GLU-  14 - QE    PHE   60  13.32 +/- 1.94   0.146% *  0.5835% (0.80   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   60  11.51 +/- 1.57   0.142% *  0.4714% (0.65   0.02   0.02) =   0.002%
          QG    GLN   90 - QE    PHE   60  13.07 +/- 1.82   0.063% *  0.6726% (0.92   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  11.93 +/- 2.15   0.152% *  0.1622% (0.22   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   60  16.21 +/- 1.24   0.013% *  0.5005% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  20.63 +/- 1.91   0.006% *  0.1622% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.985, support = 0.657, residual support = 0.945:
          HB    VAL   42 - QE    PHE   60   6.86 +/- 1.84  26.352% * 48.7563% (1.00  1.00   0.75   1.15) =  80.513%  kept
          HG3   LYS+  65 - QE    PHE   60   8.55 +/- 1.98  12.297% * 14.7138% (1.00  1.00   0.23   0.02) =  11.339%  kept
          HB3   LEU   73 - QE    PHE   60   8.16 +/- 0.94   4.232% * 25.5961% (0.98  1.00   0.40   0.21) =   6.788%  kept
          HB3   LYS+  74 - QE    PHE   60   6.38 +/- 1.47  33.306% *  0.3249% (0.25  1.00   0.02   0.02) =   0.678%  kept
          HB3   PRO   93 - QE    PHE   60   7.64 +/- 2.22  21.388% *  0.3623% (0.28  1.00   0.02   0.02) =   0.486%
        T QB    ALA   84 - QE    PHE   60  11.26 +/- 1.25   0.549% *  3.2492% (0.25 10.00   0.02   0.02) =   0.112%
          QB    LEU   98 - QE    PHE   60  11.39 +/- 1.77   0.548% *  0.6343% (0.49  1.00   0.02   0.02) =   0.022%
          HB2   LYS+ 112 - QE    PHE   60  13.68 +/- 2.22   0.259% *  1.2029% (0.92  1.00   0.02   0.02) =   0.020%
          HG3   LYS+ 106 - QE    PHE   60  12.75 +/- 2.10   0.282% *  1.0884% (0.84  1.00   0.02   0.02) =   0.019%
          HG3   LYS+  33 - QE    PHE   60  15.58 +/- 1.48   0.090% *  1.3002% (1.00  1.00   0.02   0.02) =   0.007%
          QB    ALA   12 - QE    PHE   60  16.70 +/- 1.67   0.105% *  0.9958% (0.76  1.00   0.02   0.02) =   0.007%
          HG    LEU   98 - QE    PHE   60  12.55 +/- 2.14   0.329% *  0.2282% (0.18  1.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QE    PHE   60  14.24 +/- 2.73   0.240% *  0.2901% (0.22  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - QE    PHE   60  19.09 +/- 2.23   0.022% *  1.2575% (0.97  1.00   0.02   0.02) =   0.002%
    Distance limit 4.76 A violated in 5 structures by 0.53 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 0.986, residual support = 3.98:
        T QD1   ILE   56 - QE    PHE   60   6.45 +/- 1.85  91.342% * 98.3396% (0.20 10.00   0.99   3.98) =  99.914%  kept
          QD2   LEU  123 - QE    PHE   60  12.07 +/- 2.18   7.005% *  0.9294% (0.92  1.00   0.02   0.02) =   0.072%
          HG3   LYS+ 121 - QE    PHE   60  15.01 +/- 2.68   1.653% *  0.7311% (0.73  1.00   0.02   0.02) =   0.013%
    Distance limit 4.97 A violated in 10 structures by 1.69 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.78, support = 1.21, residual support = 2.78:
          QB    ALA   64 - QE    PHE   60   3.94 +/- 1.31  62.367% * 80.0517% (0.84   1.27   2.99) =  88.839%  kept
          QG1   VAL   42 - QE    PHE   60   4.84 +/- 1.90  32.362% * 19.2728% (0.34   0.75   1.15) =  11.098%  kept
          QB    ALA   47 - QE    PHE   60   8.68 +/- 1.66   5.271% *  0.6755% (0.45   0.02   0.02) =   0.063%
    Distance limit 4.56 A violated in 1 structures by 0.11 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.818, support = 1.49, residual support = 3.46:
          HB2   ASP-  44 - QD    PHE   60   4.33 +/- 0.92  74.701% * 23.1069% (0.87   0.75   0.86) =  57.193%  kept
          HB3   PHE   72 - QD    PHE   60   5.91 +/- 1.10  18.360% * 68.5089% (0.76   2.52   7.11) =  41.676%  kept
          HG12  ILE  119 - QD    PHE   60   7.86 +/- 1.50   5.884% *  5.7451% (0.34   0.47   0.02) =   1.120%  kept
          QG    GLU-  15 - QD    PHE   60  12.11 +/- 1.08   0.191% *  0.6720% (0.95   0.02   0.02) =   0.004%
          HG2   MET   92 - QD    PHE   60  11.24 +/- 1.86   0.620% *  0.1244% (0.18   0.02   0.02) =   0.003%
          QG    GLN   90 - QD    PHE   60  13.28 +/- 1.45   0.141% *  0.4879% (0.69   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   60  14.13 +/- 1.24   0.089% *  0.5933% (0.84   0.02   0.02) =   0.002%
          QB    MET   11 - QD    PHE   60  21.25 +/- 1.39   0.008% *  0.6371% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.86 +/- 1.39   0.005% *  0.1244% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.02, residual support = 90.3:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.8968% (0.87  10.0   3.02  90.31) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.78 +/- 0.72   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.53 +/- 0.88   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.754, support = 3.15, residual support = 6.97:
          QD    PHE   60 - QD    PHE   72   4.38 +/- 1.23  81.667% * 89.6946% (0.76   3.20   7.11) =  97.892%  kept
          HN    LYS+  66 - QD    PHE   72   6.44 +/- 0.51  17.030% *  9.2488% (0.28   0.91   0.21) =   2.105%  kept
          HE3   TRP   27 - QD    PHE   72   9.71 +/- 0.64   1.189% *  0.1832% (0.25   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD    PHE   72  18.01 +/- 0.70   0.025% *  0.7281% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.52 +/- 1.10   0.088% *  0.1454% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 5 structures by 0.46 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.303, support = 1.64, residual support = 9.16:
          QE    PHE   60 - QD    PHE   72   4.24 +/- 1.49  83.677% * 39.4647% (0.18   1.91   7.11) =  79.531%  kept
          HN    LEU   63 - QD    PHE   72   6.34 +/- 0.61  15.834% * 53.6293% (0.80   0.57  17.13) =  20.452%  kept
          HZ2   TRP   87 - QD    PHE   72  13.35 +/- 1.80   0.168% *  1.7132% (0.73   0.02   0.02) =   0.007%
          HN    ILE   56 - QD    PHE   72  13.32 +/- 1.08   0.131% *  1.6206% (0.69   0.02   0.02) =   0.005%
          HD21  ASN   28 - QD    PHE   72  14.81 +/- 0.78   0.073% *  2.1159% (0.90   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  14.95 +/- 1.97   0.079% *  0.7282% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  16.37 +/- 0.77   0.038% *  0.7282% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.70 A violated in 1 structures by 0.12 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.55, residual support = 90.3:
          HN    PHE   72 - QD    PHE   72   2.64 +/- 0.35  99.971% * 99.8215% (0.98   5.55  90.31) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.18 +/- 0.78   0.029% *  0.1785% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 1.89, residual support = 90.3:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.190% * 52.6465% (0.76  10.0 10.00   1.00  90.31) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 47.3200% (0.69  10.0 10.00   3.02  90.31) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.30 +/- 1.11   0.006% *  0.0335% (0.49   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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.655, support = 0.969, residual support = 5.55:
          QD    PHE   60 - QE    PHE   72   5.13 +/- 1.43  53.089% * 72.9397% (0.76   0.99   7.11) =  77.440%  kept
          HN    LYS+  66 - QE    PHE   72   5.23 +/- 0.62  46.448% * 24.2819% (0.28   0.90   0.21) =  22.555%  kept
          HE3   TRP   27 - QE    PHE   72  11.52 +/- 0.70   0.368% *  0.4817% (0.25   0.02   0.02) =   0.004%
          QD    PHE   55 - QE    PHE   72  14.48 +/- 1.27   0.083% *  0.3823% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  19.77 +/- 0.78   0.013% *  1.9145% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 1 structures by 0.26 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.3:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.31) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.75 +/- 1.17   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.31 +/- 0.92   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.57, residual support = 90.3:
          HA    PHE   72 - QD    PHE   72   2.72 +/- 0.46  99.915% * 99.8336% (0.90   4.57  90.31) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.48 +/- 0.86   0.085% *  0.1664% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 0.338, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.90 +/- 0.90  83.449% *  9.9133% (0.22   0.02   0.02) =  70.822%  kept
          HA    THR   23 - QD    PHE   72  15.72 +/- 0.56   5.476% * 28.8048% (0.65   0.02   0.02) =  13.504%  kept
          HA    ASP-  78 - QD    PHE   72  18.09 +/- 0.50   2.321% * 41.1037% (0.92   0.02   0.02) =   8.168%  kept
          HA    LEU   80 - QD    PHE   72  16.55 +/- 0.95   4.236% * 12.3802% (0.28   0.02   0.02) =   4.490%  kept
          HB    THR   23 - QD    PHE   72  16.32 +/- 0.48   4.518% *  7.7981% (0.18   0.02   0.02) =   3.016%  kept
    Distance limit 4.66 A violated in 20 structures by 4.93 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.679, support = 3.58, residual support = 56.5:
        T HA    ALA   64 - QD    PHE   72   3.00 +/- 0.50  29.745% * 82.2895% (0.92   1.0 10.00   3.12  39.44) =  66.392%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.46 +/- 0.17  70.233% * 17.6413% (0.20  10.0 10.00   4.49  90.31) =  33.608%  kept
          QE    LYS+  66 - QD    PHE   72   9.63 +/- 0.84   0.021% *  0.0222% (0.25   1.0  1.00   0.02   0.21) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.67 +/- 0.57   0.002% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.73, residual support = 90.3:
      O T HB3   PHE   72 - QD    PHE   72   2.56 +/- 0.19  97.569% * 99.4111% (0.98  10.0 10.00   4.73  90.31) =  99.998%  kept
          HB2   ASP-  44 - QD    PHE   72   5.63 +/- 1.09   1.813% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   6.91 +/- 1.08   0.535% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72  10.11 +/- 2.10   0.049% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  10.61 +/- 0.82   0.024% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  15.83 +/- 1.34   0.003% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.28 +/- 0.72   0.004% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.74 +/- 1.55   0.002% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.97 +/- 1.30   0.002% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.798, support = 0.812, residual support = 5.56:
        T HB    VAL   42 - QD    PHE   72   3.14 +/- 1.04  92.487% * 59.5952% (0.80 10.00   0.75   4.99) =  98.143%  kept
          HB3   LEU   73 - QD    PHE   72   6.79 +/- 0.32   2.751% * 33.6271% (0.73  1.00   4.66  40.49) =   1.647%  kept
          HG3   LYS+  65 - QD    PHE   72   7.84 +/- 0.92   2.543% *  4.5139% (0.80  1.00   0.57   0.02) =   0.204%
          HB3   LYS+  74 - QD    PHE   72   8.07 +/- 0.70   1.284% *  0.1124% (0.57  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    PHE   72   8.38 +/- 0.85   0.513% *  0.1659% (0.84  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QD    PHE   72  11.15 +/- 0.92   0.181% *  0.1723% (0.87  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QD    PHE   72  16.51 +/- 2.09   0.022% *  1.2044% (0.61 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  13.43 +/- 1.07   0.046% *  0.1968% (0.99  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  13.19 +/- 3.45   0.064% *  0.1045% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.00 +/- 1.03   0.067% *  0.0967% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  15.47 +/- 1.41   0.016% *  0.1364% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.62 +/- 0.88   0.025% *  0.0745% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.12 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.415, support = 1.46, residual support = 33.6:
        T QD1   LEU   67 - QD    PHE   72   3.76 +/- 1.34  73.733% * 71.1067% (0.41 10.00   1.50  34.85) =  96.271%  kept
        T QD1   ILE  119 - QD    PHE   72   8.17 +/- 2.25   7.097% * 28.3483% (0.53 10.00   0.47   0.02) =   3.694%  kept
          QD2   LEU   40 - QD    PHE   72   5.51 +/- 0.95  16.124% *  0.1034% (0.45  1.00   0.02   0.02) =   0.031%
          HB    VAL   75 - QD    PHE   72   9.78 +/- 0.63   0.537% *  0.2260% (0.98  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - QD    PHE   72   8.21 +/- 1.13   1.648% *  0.0513% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QD    PHE   72  10.59 +/- 0.80   0.308% *  0.0712% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   72  10.77 +/- 1.00   0.248% *  0.0575% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  11.41 +/- 1.78   0.305% *  0.0356% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.08 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.942, support = 5.93, residual support = 40.3:
          QD2   LEU   73 - QD    PHE   72   4.64 +/- 0.37  67.571% * 97.5972% (0.95   5.96  40.49) =  99.574%  kept
          QG1   VAL   41 - QD    PHE   72   5.92 +/- 0.57  17.453% *  1.5343% (0.28   0.32   0.02) =   0.404%
          QG1   VAL   43 - QD    PHE   72   6.38 +/- 0.67  12.540% *  0.0535% (0.15   0.02   0.02) =   0.010%
          QD1   ILE   56 - QD    PHE   72   9.40 +/- 1.46   1.789% *  0.3434% (0.99   0.02   0.02) =   0.009%
          HG    LEU   31 - QD    PHE   72  11.03 +/- 0.93   0.412% *  0.2894% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  13.76 +/- 3.17   0.236% *  0.1823% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.06, residual support = 39.4:
        T QB    ALA   64 - QD    PHE   72   2.26 +/- 0.40  99.912% * 99.9781% (0.80 10.00   5.06  39.44) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.43 +/- 2.09   0.088% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 1.84, residual support = 40.9:
        T QG2   VAL   70 - QD    PHE   72   2.79 +/- 0.57 100.000% *100.0000% (0.65 10.00   1.84  40.88) = 100.000%  kept
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.02, residual support = 39.4:
        T HA    ALA   64 - QE    PHE   72   2.50 +/- 0.38  99.869% * 99.5248% (0.38 10.00   4.02  39.44) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   8.12 +/- 1.00   0.128% *  0.2123% (0.80  1.00   0.02   0.21) =   0.000%
          HB3   ASN   35 - QE    PHE   72  15.51 +/- 0.69   0.002% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 4.03, residual support = 40.9:
        T HB    VAL   70 - QE    PHE   72   2.38 +/- 0.67  99.402% * 98.7668% (0.99 10.00   4.03  40.88) =  99.996%  kept
        T QG    GLN   17 - QE    PHE   72   7.60 +/- 0.73   0.432% *  0.9617% (0.97 10.00   0.02   0.02) =   0.004%
          HB2   MET   96 - QE    PHE   72   9.68 +/- 1.07   0.061% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.68 +/- 1.58   0.073% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.80 +/- 1.46   0.019% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.68 +/- 0.68   0.009% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.70 +/- 0.82   0.003% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  19.25 +/- 0.57   0.001% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.1, residual support = 34.8:
        T HB2   LEU   67 - QE    PHE   72   2.62 +/- 0.49  97.366% * 98.9499% (0.45 10.00   3.10  34.85) =  99.998%  kept
          HG2   PRO   68 - QE    PHE   72   7.35 +/- 1.19   0.570% *  0.1767% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QE    PHE   72   6.36 +/- 1.21   1.158% *  0.0491% (0.22  1.00   0.02   2.95) =   0.001%
          HB    ILE   19 - QE    PHE   72   8.56 +/- 0.49   0.134% *  0.1603% (0.73  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    PHE   72   7.45 +/- 1.30   0.540% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  11.88 +/- 1.99   0.046% *  0.1843% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.44 +/- 0.72   0.147% *  0.0387% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.47 +/- 1.81   0.028% *  0.1428% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  13.44 +/- 0.94   0.009% *  0.1914% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.58 +/- 0.60   0.001% *  0.0681% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.374, support = 3.08, residual support = 34.5:
          HB3   LEU   67 - QE    PHE   72   2.69 +/- 0.70  94.241% * 72.3752% (0.38   3.10  34.85) =  99.024%  kept
          QG    LYS+  66 - QE    PHE   72   6.57 +/- 0.94   3.368% * 19.2996% (0.22   1.39   0.21) =   0.944%  kept
          HD3   LYS+ 121 - QE    PHE   72  11.65 +/- 3.72   0.776% *  1.1496% (0.92   0.02   0.02) =   0.013%
          HG12  ILE   19 - QE    PHE   72   8.04 +/- 1.23   0.453% *  1.0402% (0.84   0.02   0.02) =   0.007%
          QB    ALA   61 - QE    PHE   72   7.08 +/- 0.52   0.639% *  0.6552% (0.53   0.02   0.02) =   0.006%
          QB    LEU   98 - QE    PHE   72   8.69 +/- 0.95   0.291% *  0.8056% (0.65   0.02   0.02) =   0.003%
          QB    ALA  110 - QE    PHE   72  12.65 +/- 2.39   0.141% *  0.9517% (0.76   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QE    PHE   72  10.18 +/- 0.70   0.071% *  1.1169% (0.90   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   72  14.10 +/- 1.25   0.012% *  0.4674% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  16.43 +/- 0.90   0.004% *  1.2343% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.21 +/- 1.23   0.004% *  0.9043% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.14, residual support = 34.8:
        T QD1   LEU   67 - QE    PHE   72   3.00 +/- 0.53  81.675% * 98.1791% (0.41 10.00   4.15  34.85) =  99.863%  kept
        T QD1   ILE  119 - QE    PHE   72   7.28 +/- 2.37   7.910% *  1.2564% (0.53 10.00   0.02   0.02) =   0.124%
          QD2   LEU   40 - QE    PHE   72   4.98 +/- 1.16  10.001% *  0.1071% (0.45  1.00   0.02   0.02) =   0.013%
          HB    VAL   75 - QE    PHE   72  11.48 +/- 0.77   0.035% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72   9.79 +/- 1.33   0.113% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.25 +/- 1.11   0.070% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  11.21 +/- 2.27   0.121% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.21 +/- 1.12   0.076% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.561, support = 4.32, residual support = 24.2:
          HB3   LEU   63 - QE    PHE   72   4.06 +/- 1.54  28.568% * 81.1550% (0.73   4.43  17.13) =  70.033%  kept
          QG1   VAL   70 - QE    PHE   72   3.04 +/- 0.77  54.784% * 18.0628% (0.18   4.09  40.88) =  29.891%  kept
          QD1   LEU   40 - QE    PHE   72   4.09 +/- 0.91  14.332% *  0.1558% (0.31   0.02   0.02) =   0.067%
          QG1   VAL   18 - QE    PHE   72   5.92 +/- 0.81   2.290% *  0.1259% (0.25   0.02   2.95) =   0.009%
          QG1   VAL  108 - QE    PHE   72  12.82 +/- 2.34   0.026% *  0.5005% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.806, support = 3.76, residual support = 17.4:
          QD2   LEU   63 - QE    PHE   72   3.39 +/- 1.33  64.072% * 27.3420% (0.69   3.65  17.13) =  59.295%  kept
          QD1   LEU   63 - QE    PHE   72   4.03 +/- 1.02  27.307% * 42.5142% (0.98   3.97  17.13) =  39.294%  kept
          QD1   LEU   73 - QE    PHE   72   7.42 +/- 0.82   1.373% * 29.6992% (0.98   2.78  40.49) =   1.380%  kept
          QD2   LEU  115 - QE    PHE   72   9.30 +/- 2.14   4.892% *  0.1585% (0.73   0.02   0.02) =   0.026%
          QG2   VAL   41 - QE    PHE   72   6.81 +/- 0.70   1.830% *  0.0382% (0.18   0.02   0.02) =   0.002%
          QD1   LEU  104 - QE    PHE   72   8.38 +/- 1.58   0.494% *  0.0979% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   80 - QE    PHE   72  12.95 +/- 0.71   0.032% *  0.1499% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.679, support = 4.08, residual support = 38.0:
          QB    ALA   64 - QE    PHE   72   3.15 +/- 0.42  47.664% * 95.7392% (0.69   4.24  39.44) =  95.896%  kept
          QG1   VAL   42 - QE    PHE   72   3.45 +/- 1.41  52.322% *  3.7322% (0.49   0.23   4.99) =   4.104%  kept
          QB    ALA   47 - QE    PHE   72  14.13 +/- 0.97   0.006% *  0.3985% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  14.95 +/- 2.82   0.009% *  0.1300% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 5.22, residual support = 40.9:
        T QG2   VAL   70 - QE    PHE   72   2.16 +/- 0.53 100.000% *100.0000% (0.90 10.00   5.22  40.88) = 100.000%  kept
    Distance limit 3.92 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 = 39.4:
        T HA    ALA   64 - HZ    PHE   72   3.52 +/- 0.68  98.431% * 99.7900% (0.65 10.00   2.76  39.44) =  99.999%  kept
          QE    LYS+  66 - HZ    PHE   72   8.42 +/- 1.36   1.560% *  0.0812% (0.53  1.00   0.02   0.21) =   0.001%
          HB3   ASN   35 - HZ    PHE   72  18.32 +/- 0.76   0.009% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 40.9:
        T HB    VAL   70 - HZ    PHE   72   3.98 +/- 0.58  98.330% * 98.2503% (0.92 10.00   3.30  40.88) =  99.985%  kept
        T QG    GLN   17 - HZ    PHE   72   9.30 +/- 0.81   1.302% *  1.0272% (0.97 10.00   0.02   0.02) =   0.014%
        T HB2   MET   96 - HZ    PHE   72  11.44 +/- 1.38   0.279% *  0.5600% (0.53 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.11 +/- 0.81   0.030% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  14.89 +/- 1.56   0.055% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.67 +/- 0.66   0.004% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 2.95, residual support = 34.7:
        T HB2   LEU   67 - HZ    PHE   72   3.22 +/- 0.69  93.007% * 91.9401% (0.45 10.00   2.96  34.85) =  99.601%  kept
          HG2   PRO   68 - HZ    PHE   72   7.97 +/- 1.69   4.715% *  7.2484% (0.80  1.00   0.88   0.02) =   0.398%
          QB    GLU-  15 - HZ    PHE   72   9.13 +/- 1.74   1.443% *  0.0359% (0.18  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HZ    PHE   72   8.26 +/- 1.31   0.468% *  0.0457% (0.22  1.00   0.02   2.95) =   0.000%
          HB    ILE   19 - HZ    PHE   72  10.63 +/- 0.54   0.114% *  0.1489% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.68 +/- 2.27   0.077% *  0.1713% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.34 +/- 0.84   0.136% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.06 +/- 2.09   0.029% *  0.1327% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  15.78 +/- 1.03   0.011% *  0.1779% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  23.03 +/- 0.68   0.001% *  0.0633% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.372, support = 2.92, residual support = 34.2:
          HB3   LEU   67 - HZ    PHE   72   3.49 +/- 0.90  87.174% * 77.0674% (0.38   2.96  34.85) =  98.242%  kept
          QG    LYS+  66 - HZ    PHE   72   6.94 +/- 1.27   8.443% * 13.6483% (0.22   0.88   0.21) =   1.685%  kept
          HD3   LYS+ 121 - HZ    PHE   72  12.32 +/- 4.48   2.597% *  1.2820% (0.92   0.02   0.02) =   0.049%
          QB    ALA   61 - HZ    PHE   72   8.81 +/- 0.68   0.761% *  0.7307% (0.53   0.02   0.02) =   0.008%
          QB    ALA  110 - HZ    PHE   72  14.67 +/- 2.66   0.342% *  1.0614% (0.76   0.02   0.02) =   0.005%
          HG12  ILE   19 - HZ    PHE   72  10.11 +/- 1.33   0.281% *  1.1600% (0.84   0.02   0.02) =   0.005%
          QB    LEU   98 - HZ    PHE   72  10.25 +/- 1.17   0.303% *  0.8984% (0.65   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HZ    PHE   72  12.53 +/- 0.77   0.072% *  1.2455% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  19.44 +/- 1.03   0.006% *  1.3765% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  16.43 +/- 1.55   0.014% *  0.5212% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  19.22 +/- 1.37   0.006% *  1.0085% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.414, support = 3.87, residual support = 33.9:
        T QD1   LEU   67 - HZ    PHE   72   3.12 +/- 0.77  85.436% * 74.7338% (0.41 10.00   3.96  34.85) =  97.381%  kept
        T QD1   ILE  119 - HZ    PHE   72   8.43 +/- 2.66   7.364% * 23.2329% (0.53 10.00   0.49   0.02) =   2.609%  kept
          QD2   LEU   40 - HZ    PHE   72   6.01 +/- 1.29   6.803% *  0.0815% (0.45  1.00   0.02   0.02) =   0.008%
        T HB    VAL   75 - HZ    PHE   72  13.87 +/- 0.89   0.019% *  1.7818% (0.98 10.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  10.70 +/- 1.82   0.159% *  0.0453% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.49 +/- 1.48   0.074% *  0.0561% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  12.80 +/- 2.79   0.092% *  0.0280% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.63 +/- 1.22   0.052% *  0.0405% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.723, support = 2.98, residual support = 26.3:
        T HB3   LEU   63 - HZ    PHE   72   4.88 +/- 1.78  33.283% * 69.6512% (0.95 10.00   3.10  17.13) =  61.039%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.91 +/- 1.04  53.205% * 27.6342% (0.38 10.00   2.82  40.88) =  38.712%  kept
          QD1   LEU   71 - HZ    PHE   72   8.34 +/- 1.21   3.556% *  2.6027% (0.20  1.00   3.57  19.56) =   0.244%
          QD1   LEU  123 - HZ    PHE   72   8.77 +/- 3.89   7.550% *  0.0146% (0.20  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HZ    PHE   72   7.56 +/- 0.93   2.160% *  0.0358% (0.49  1.00   0.02   2.95) =   0.002%
          QG1   VAL  108 - HZ    PHE   72  14.68 +/- 2.79   0.245% *  0.0615% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 1 structures by 0.12 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 2.49, residual support = 17.4:
          QD2   LEU   63 - HZ    PHE   72   3.80 +/- 1.35  73.704% * 23.6973% (0.69   2.31  17.13) =  65.814%  kept
          QD1   LEU   63 - HZ    PHE   72   5.10 +/- 1.05  20.885% * 41.8916% (0.98   2.86  17.13) =  32.968%  kept
          QD1   LEU   73 - HZ    PHE   72   9.17 +/- 0.89   0.937% * 33.8030% (0.98   2.31  40.49) =   1.193%  kept
          QD2   LEU  115 - HZ    PHE   72  10.77 +/- 2.22   2.163% *  0.2168% (0.73   0.02   0.02) =   0.018%
          QD1   LEU  104 - HZ    PHE   72   9.22 +/- 1.92   0.912% *  0.1339% (0.45   0.02   0.02) =   0.005%
          QG2   VAL   41 - HZ    PHE   72   8.45 +/- 0.76   1.369% *  0.0523% (0.18   0.02   0.02) =   0.003%
          QD2   LEU   80 - HZ    PHE   72  15.38 +/- 0.83   0.031% *  0.2051% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 1 structures by 0.07 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 40.9:
        T QG2   VAL   70 - HZ    PHE   72   3.64 +/- 0.52 100.000% *100.0000% (0.90 10.00   4.44  40.88) = 100.000%  kept
    Distance limit 4.68 A violated in 0 structures by 0.02 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  70.38) = 100.000%  kept
    Distance limit 3.59 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  70.38) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.58 +/- 1.77   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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  99.918% * 99.8601% (0.98  10.0 10.00   1.00  70.38) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  10.44 +/- 3.11   0.079% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  21.47 +/- 3.80   0.003% *  0.0382% (0.38   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 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  99.844% * 99.5607% (0.99  10.0   1.00  70.38) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87   9.18 +/- 4.29   0.150% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  14.22 +/- 1.75   0.005% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.42 +/- 2.72   0.001% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  20.30 +/- 1.43   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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  98.913% * 99.7330% (0.90  10.0   1.00  70.38) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.54 +/- 0.59   1.083% *  0.0027% (0.01   1.0   0.02  20.73) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  22.23 +/- 3.99   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.01 +/- 1.56   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.21 +/- 1.73   0.002% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.42 +/- 2.72   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 6.06:
          HZ2   TRP   27 - HZ2   TRP   87   3.92 +/- 5.48  91.414% * 99.3931% (0.87   0.75   6.06) =  99.994%  kept
          HZ    PHE   72 - HZ2   TRP   87  17.28 +/- 2.40   0.694% *  0.4715% (0.15   0.02   0.02) =   0.004%
          HZ    PHE   72 - HN    ILE   56  16.22 +/- 1.46   7.111% *  0.0205% (0.01   0.02   0.02) =   0.002%
          HZ2   TRP   27 - HN    ILE   56  21.25 +/- 1.13   0.782% *  0.1150% (0.04   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 2 structures by 1.61 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.64, support = 0.02, residual support = 0.02:
          HD21  ASN   35 - HZ3   TRP   87  14.88 +/- 5.10  34.200% * 11.6802% (0.53   0.02   0.02) =  30.999%  kept
          QE    PHE   95 - HZ3   TRP   87  13.47 +/- 0.96  31.470% * 10.8062% (0.49   0.02   0.02) =  26.390%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.33 +/- 3.39   8.308% * 22.0041% (0.99   0.02   0.02) =  14.187%  kept
          HD2   HIS   22 - HZ3   TRP   87  17.23 +/- 1.31   7.645% * 20.4937% (0.92   0.02   0.02) =  12.157%  kept
          HN    THR   23 - HZ3   TRP   87  15.56 +/- 1.01  13.360% * 11.6802% (0.53   0.02   0.02) =  12.110%  kept
          HN    LEU   67 - HZ3   TRP   87  21.20 +/- 1.90   2.208% * 19.9101% (0.90   0.02   0.02) =   3.411%  kept
          QD    PHE   55 - HZ3   TRP   87  20.85 +/- 2.18   2.809% *  3.4254% (0.15   0.02   0.02) =   0.747%  kept
    Distance limit 3.65 A violated in 20 structures by 7.32 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   4.43 +/- 0.31  99.749% * 97.7183% (0.38   3.73  22.50) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  14.22 +/- 1.34   0.100% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  13.77 +/- 1.37   0.122% *  0.4306% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - HD1   TRP   87  17.99 +/- 1.02   0.028% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 2.03:
          QD1   LEU   31 - HH2   TRP   87   5.51 +/- 4.96 100.000% *100.0000% (0.80   0.75   2.03) = 100.000%  kept
    Distance limit 4.77 A violated in 2 structures by 1.56 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 1.9, residual support = 2.96:
          QD2   LEU   98 - HH2   TRP   87   6.36 +/- 4.30  62.554% * 71.8153% (0.53  1.00   2.00   3.17) =  93.487%  kept
          QG2   VAL   41 - HH2   TRP   87   7.95 +/- 3.90  13.399% * 22.3035% (0.73  1.00   0.45   0.02) =   6.219%  kept
          QD1   LEU   73 - HH2   TRP   87   8.62 +/- 3.17   9.389% *  0.6120% (0.45  1.00   0.02   0.02) =   0.120%
          QD1   LEU   80 - HH2   TRP   87  10.52 +/- 1.26   4.697% *  0.7182% (0.53  1.00   0.02   0.02) =   0.070%
        T QD2   LEU  115 - HH2   TRP   87  17.68 +/- 2.96   0.941% *  2.3905% (0.18 10.00   0.02   0.02) =   0.047%
          QD2   LEU   80 - HH2   TRP   87   8.94 +/- 1.64   7.722% *  0.2106% (0.15  1.00   0.02   0.02) =   0.034%
          QD2   LEU   63 - HH2   TRP   87  15.47 +/- 2.59   0.470% *  1.3380% (0.98  1.00   0.02   0.02) =   0.013%
          QD1   LEU   63 - HH2   TRP   87  14.49 +/- 2.10   0.829% *  0.6120% (0.45  1.00   0.02   0.02) =   0.011%
    Distance limit 4.62 A violated in 7 structures by 1.73 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 0.748, residual support = 3.16:
          QD1   LEU   98 - HH2   TRP   87   6.87 +/- 4.99  82.305% * 94.3481% (0.76   0.75   3.17) =  99.720%  kept
          QG2   THR   46 - HH2   TRP   87  12.75 +/- 2.26  11.329% *  0.8209% (0.25   0.02   0.02) =   0.119%
          QD2   LEU  104 - HH2   TRP   87  12.18 +/- 4.27   3.766% *  2.3906% (0.73   0.02   0.02) =   0.116%
          QD1   ILE   19 - HH2   TRP   87  13.74 +/- 1.98   1.568% *  1.8639% (0.57   0.02   0.02) =   0.038%
          QG2   VAL   18 - HH2   TRP   87  14.58 +/- 1.34   1.032% *  0.5766% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.20 A violated in 8 structures by 2.88 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 70.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.55 +/- 0.09  99.998% * 99.0099% (1.00  10.0 10.00   3.24  70.38) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.59 +/- 1.96   0.002% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.941, support = 0.141, residual support = 0.11:
        T QD1   ILE  103 - HE3   TRP   87   6.23 +/- 4.54  75.802% * 91.6381% (0.95 10.00   0.14   0.11) =  99.246%  kept
          QG2   ILE  103 - HE3   TRP   87   8.08 +/- 4.09   9.581% *  4.7584% (0.28  1.00   0.25   0.11) =   0.651%  kept
          HG3   LYS+  74 - HE3   TRP   87  15.49 +/- 2.51   9.155% *  0.5170% (0.38  1.00   0.02   0.02) =   0.068%
          QD2   LEU   71 - HE3   TRP   87  15.71 +/- 1.70   0.843% *  1.1950% (0.87  1.00   0.02   0.02) =   0.014%
          QD2   LEU   40 - HE3   TRP   87  11.68 +/- 2.61   3.954% *  0.2413% (0.18  1.00   0.02   0.02) =   0.014%
          QG2   ILE  119 - HE3   TRP   87  17.75 +/- 2.47   0.298% *  1.3776% (1.00  1.00   0.02   0.02) =   0.006%
          QD1   LEU   67 - HE3   TRP   87  16.34 +/- 1.99   0.367% *  0.2726% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 5 structures by 1.73 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 = 4.13, residual support = 70.4:
          HA    TRP   87 - HD1   TRP   87   4.59 +/- 0.07  99.920% * 99.0825% (0.80   4.13  70.38) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  19.80 +/- 0.97   0.016% *  0.5785% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.85 +/- 2.06   0.049% *  0.0925% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  21.51 +/- 2.24   0.014% *  0.2465% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.14, residual support = 9.5:
        T HA    VAL   83 - HD1   TRP   87   4.97 +/- 0.57  97.703% * 95.9068% (0.41 10.00   4.14   9.51) =  99.978%  kept
        T HA    VAL   24 - HD1   TRP   87   9.85 +/- 0.94   2.186% *  0.8755% (0.38 10.00   0.02   0.02) =   0.020%
        T HA    LYS+  38 - HD1   TRP   87  20.36 +/- 2.11   0.029% *  2.0922% (0.90 10.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD1   TRP   87  18.76 +/- 2.10   0.050% *  1.0459% (0.45 10.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HD1   TRP   87  19.83 +/- 2.05   0.032% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 9 structures by 0.70 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 70.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.83 +/- 0.04  99.974% * 99.0099% (1.00  10.0  1.00   3.94  70.38) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  15.68 +/- 1.36   0.026% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.55 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   3.56 +/- 0.17  99.566% * 98.2033% (1.00 10.00   3.60  22.50) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  13.53 +/- 1.64   0.041% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.44 +/- 1.82   0.377% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  18.73 +/- 2.17   0.006% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  17.90 +/- 1.34   0.007% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  20.94 +/- 2.27   0.003% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.71 +/- 0.04  99.650% * 99.2543% (0.25  10.0   3.80  70.38) =  99.999%  kept
          HG3   MET   96 - HD1   TRP   87   8.58 +/- 2.78   0.349% *  0.2254% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  23.11 +/- 1.46   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.68 +/- 2.30   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  20.92 +/- 1.14   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 3.01, residual support = 11.2:
        T QG2   VAL   83 - HD1   TRP   87   3.27 +/- 0.75  33.604% * 89.1735% (0.90 10.00   2.94   9.51) =  81.370%  kept
          QD1   ILE   89 - HD1   TRP   87   2.80 +/- 0.51  64.002% * 10.7190% (0.65  1.00   3.33  18.54) =  18.629%  kept
          QG2   VAL   43 - HD1   TRP   87   5.74 +/- 1.53   2.314% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HD1   TRP   87   9.41 +/- 1.65   0.080% *  0.0941% (0.95  1.00   0.02   2.03) =   0.000%
    Distance limit 3.51 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 = 0.935, support = 0.788, residual support = 18.1:
        T QG2   ILE   89 - HD1   TRP   87   4.13 +/- 0.16  74.069% * 86.6318% (0.95 10.00   0.75  18.54) =  94.908%  kept
          QG1   VAL   83 - HD1   TRP   87   5.22 +/- 0.87  25.885% * 13.3003% (0.73  1.00   1.50   9.51) =   5.092%  kept
          QD1   LEU  104 - HD1   TRP   87  14.99 +/- 1.87   0.045% *  0.0679% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.517, support = 0.743, residual support = 3.06:
          QD2   LEU   98 - HZ2   TRP   87   7.02 +/- 3.75  36.064% * 82.6741% (0.53   0.75   3.17) =  96.389%  kept
          QD2   LEU  115 - HN    ILE   56   6.67 +/- 0.95  20.766% *  2.1405% (0.01   1.34   0.21) =   1.437%  kept
          QG2   VAL   41 - HZ2   TRP   87   8.08 +/- 3.50   9.593% *  3.0428% (0.73   0.02   0.02) =   0.944%  kept
          QD1   LEU   73 - HZ2   TRP   87   8.06 +/- 2.98   9.168% *  1.8787% (0.45   0.02   0.02) =   0.557%  kept
          QD2   LEU   80 - HZ2   TRP   87   6.97 +/- 1.74  15.193% *  0.6466% (0.15   0.02   0.02) =   0.318%
          QD1   LEU   80 - HZ2   TRP   87   8.53 +/- 1.39   4.384% *  2.2046% (0.53   0.02   0.02) =   0.312%
          QD2   LEU   63 - HZ2   TRP   87  15.28 +/- 2.51   0.122% *  4.1074% (0.98   0.02   0.02) =   0.016%
          QD1   LEU   63 - HZ2   TRP   87  14.14 +/- 2.09   0.185% *  1.8787% (0.45   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    ILE   56   9.25 +/- 0.81   2.942% *  0.0815% (0.02   0.02   0.02) =   0.008%
          QD2   LEU   63 - HN    ILE   56  11.09 +/- 1.05   0.966% *  0.1783% (0.04   0.02   0.02) =   0.006%
          QD2   LEU  115 - HZ2   TRP   87  17.28 +/- 2.88   0.077% *  0.7339% (0.18   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    ILE   56  16.26 +/- 1.93   0.211% *  0.0815% (0.02   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE   56  17.25 +/- 1.13   0.077% *  0.1321% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE   56  16.11 +/- 1.61   0.093% *  0.0957% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  17.33 +/- 1.74   0.089% *  0.0957% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.67 +/- 0.98   0.070% *  0.0281% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 2 structures by 0.39 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.172, support = 0.705, residual support = 1.9:
          QD1   LEU   31 - HZ2   TRP   87   5.56 +/- 4.44  51.662% * 92.4210% (0.15   0.75   2.03) =  93.827%  kept
          QG2   VAL   43 - HZ2   TRP   87   5.34 +/- 2.91  43.673% *  7.1612% (0.45   0.02   0.02) =   6.146%  kept
          QG2   VAL   43 - HN    ILE   56  13.63 +/- 1.16   4.261% *  0.3108% (0.02   0.02   0.02) =   0.026%
          QD1   LEU   31 - HN    ILE   56  19.49 +/- 0.87   0.403% *  0.1070% (0.01   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 2 structures by 0.87 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.747, support = 1.65, residual support = 50.4:
          HA    TRP   49 - HE3   TRP   49   4.50 +/- 0.35  58.373% * 55.6549% (0.69   1.92  74.65) =  66.294%  kept
          HA    CYS   50 - HE3   TRP   49   5.11 +/- 1.65  39.419% * 41.8653% (0.87   1.14   2.72) =  33.676%  kept
          HA    ALA   47 - HE3   TRP   49   7.74 +/- 1.55   1.925% *  0.6466% (0.76   0.02  15.93) =   0.025%
          HA1   GLY  109 - HE3   TRP   49  15.34 +/- 2.99   0.226% *  0.7067% (0.84   0.02   0.02) =   0.003%
          HA    VAL  108 - HE3   TRP   49  16.06 +/- 2.17   0.051% *  0.5473% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  21.02 +/- 2.12   0.005% *  0.4118% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.47 +/- 1.85   0.001% *  0.1674% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 0.02, residual support = 74.5:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.518% * 23.6887% (1.00   0.02  74.65) =  99.769%  kept
          QE    PHE   95 - HE3   TRP   49  13.84 +/- 2.08   0.370% *  8.9104% (0.38   0.02   0.02) =   0.140%
          HD2   HIS   22 - HE3   TRP   49  18.23 +/- 3.30   0.074% * 23.2713% (0.98   0.02   0.02) =   0.073%
          HN    THR   23 - HE3   TRP   49  20.56 +/- 2.30   0.028% *  9.7604% (0.41   0.02   0.02) =   0.012%
          HN    LEU   67 - HE3   TRP   49  25.45 +/- 2.23   0.008% * 19.0107% (0.80   0.02   0.02) =   0.006%
          HD21  ASN   35 - HE3   TRP   49  34.15 +/- 1.95   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 20 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.8, support = 0.0199, residual support = 67.3:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  82.666% * 16.7579% (0.84   0.02  74.65) =  90.134%  kept
          QD    PHE   55 - HH2   TRP   49   9.25 +/- 0.90  13.349% *  6.8436% (0.34   0.02   0.02) =   5.944%  kept
          QE    PHE   95 - HH2   TRP   49  12.47 +/- 2.31   3.588% * 15.3326% (0.76   0.02   0.02) =   3.579%  kept
          HD2   HIS   22 - HH2   TRP   49  19.54 +/- 3.27   0.198% * 13.7814% (0.69   0.02   0.02) =   0.177%
          HN    THR   23 - HH2   TRP   49  21.54 +/- 2.45   0.089% * 16.0651% (0.80   0.02   0.02) =   0.093%
          HN    LEU   67 - HH2   TRP   49  24.91 +/- 2.41   0.035% * 20.0629% (1.00   0.02   0.02) =   0.046%
          HE3   TRP   27 - HH2   TRP   49  22.27 +/- 2.28   0.070% *  5.5782% (0.28   0.02   0.02) =   0.026%
          HD21  ASN   35 - HH2   TRP   49  33.25 +/- 2.69   0.006% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 20 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.752, support = 3.54, residual support = 45.1:
          HA    TRP   49 - HD1   TRP   49   4.16 +/- 0.23  44.015% * 44.0967% (0.69   4.27  74.65) =  56.576%  kept
          HA    CYS   50 - HD1   TRP   49   5.18 +/- 1.64  25.855% * 40.6855% (0.87   3.12   2.72) =  30.662%  kept
          HA    ALA   47 - HD1   TRP   49   4.63 +/- 1.13  30.056% * 14.5666% (0.76   1.27  15.93) =  12.762%  kept
          HA1   GLY  109 - HD1   TRP   49  15.18 +/- 3.28   0.042% *  0.2510% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  15.01 +/- 2.72   0.026% *  0.1944% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  18.16 +/- 2.10   0.007% *  0.1463% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  28.04 +/- 2.04   0.000% *  0.0595% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.16 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   3.06 +/- 0.50 100.000% *100.0000% (0.61   3.86  73.52) = 100.000%  kept
    Distance limit 4.46 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   2.64 +/- 0.49 100.000% *100.0000% (0.98 10.00   3.44  73.52) = 100.000%  kept
    Distance limit 4.49 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 = 4.66:
          HA    ASP-  44 - QD    PHE   95   3.12 +/- 0.70  99.446% * 93.1915% (0.90   2.00   4.66) =  99.996%  kept
          HA    ILE  103 - QD    PHE   95  10.67 +/- 0.90   0.251% *  0.7546% (0.73   0.02   0.02) =   0.002%
          HB    THR   77 - QD    PHE   95  11.55 +/- 1.33   0.064% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   95  11.39 +/- 1.20   0.148% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  14.13 +/- 0.81   0.021% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  14.88 +/- 0.61   0.014% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.32 +/- 1.18   0.018% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.99 +/- 1.51   0.023% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.07 +/- 0.96   0.008% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  18.69 +/- 0.71   0.004% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.12 +/- 1.10   0.001% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  26.71 +/- 1.52   0.001% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.43 +/- 0.14 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.52) = 100.000%  kept
    Distance limit 4.02 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   2.55 +/- 0.20  99.945% * 99.8712% (0.99  10.0 10.00   3.31  73.52) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95  10.03 +/- 1.66   0.055% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  20.07 +/- 0.62   0.000% *  0.0280% (0.28   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 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 45.6:
        T HB    VAL  107 - QD    PHE   95   2.47 +/- 0.58  98.793% * 99.7392% (0.92 10.00   3.85  45.62) =  99.999%  kept
          HB3   PHE   45 - QD    PHE   95   6.81 +/- 1.22   0.756% *  0.0568% (0.53  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - QD    PHE   95   9.02 +/- 2.08   0.445% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.79 +/- 0.90   0.005% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.66 +/- 1.00   0.002% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.751, support = 0.739, residual support = 4.31:
          HB3   ASP-  44 - QD    PHE   95   3.22 +/- 1.08  80.733% * 25.9412% (0.76   0.75   4.66) =  88.932%  kept
          HB2   LEU   63 - QD    PHE   95   6.08 +/- 1.17   5.111% * 21.9588% (0.65   0.75   2.65) =   4.766%  kept
          HB    VAL   42 - QD    PHE   95   6.59 +/- 1.21   5.663% * 10.4768% (0.31   0.75   1.45) =   2.519%  kept
          HB3   PRO   93 - QD    PHE   95   5.43 +/- 0.75   5.516% * 10.7341% (1.00   0.24   0.02) =   2.514%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.81 +/- 0.80   1.137% * 25.5476% (0.61   0.93   0.02) =   1.233%  kept
          HG    LEU   98 - QD    PHE   95  10.00 +/- 1.27   0.273% *  0.8736% (0.97   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - QD    PHE   95   9.65 +/- 2.07   0.821% *  0.2794% (0.31   0.02   0.02) =   0.010%
          QB    ALA   84 - QD    PHE   95  10.19 +/- 0.94   0.127% *  0.9032% (1.00   0.02   0.02) =   0.005%
          HB3   LEU   73 - QD    PHE   95   9.03 +/- 1.43   0.268% *  0.3397% (0.38   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - QD    PHE   95  10.40 +/- 1.84   0.205% *  0.4406% (0.49   0.02   0.02) =   0.004%
          QB    ALA  124 - QD    PHE   95  14.38 +/- 1.74   0.022% *  0.8118% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  12.27 +/- 1.44   0.057% *  0.2794% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  12.98 +/- 0.84   0.033% *  0.4762% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD    PHE   95  15.96 +/- 1.20   0.013% *  0.3721% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  15.20 +/- 1.04   0.014% *  0.3397% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  16.98 +/- 1.01   0.007% *  0.2257% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.85, residual support = 45.6:
        T QG2   VAL  107 - QD    PHE   95   2.82 +/- 0.70  99.570% * 99.7831% (0.99 10.00   3.85  45.62) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.68 +/- 1.10   0.248% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.67 +/- 2.36   0.122% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.11 +/- 0.55   0.060% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 1.15, residual support = 5.41:
        T QD2   LEU  115 - QD    PHE   95   5.55 +/- 2.24  26.238% * 86.9421% (0.99 10.00   1.08   6.24) =  77.156%  kept
          QD1   LEU   63 - QD    PHE   95   3.83 +/- 1.58  64.233% * 10.3475% (0.90  1.00   1.42   2.65) =  22.481%  kept
          QD2   LEU   63 - QD    PHE   95   5.59 +/- 1.60   4.535% *  2.2080% (0.31  1.00   0.88   2.65) =   0.339%
          QD1   LEU   73 - QD    PHE   95   8.47 +/- 1.55   4.793% *  0.1459% (0.90  1.00   0.02   0.02) =   0.024%
          QD1   LEU  104 - QD    PHE   95  10.05 +/- 1.08   0.109% *  0.1359% (0.84  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD    PHE   95  10.95 +/- 0.63   0.053% *  0.1595% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   95  11.74 +/- 0.90   0.038% *  0.0611% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.748, residual support = 1.44:
        T QG1   VAL   42 - QD    PHE   95   3.83 +/- 1.14  89.614% * 94.7865% (0.65 10.00   0.75   1.45) =  99.766%  kept
          QB    ALA   64 - QD    PHE   95   6.86 +/- 1.03   6.428% *  2.1069% (0.53  1.00   0.20   0.02) =   0.159%
        T QB    ALA   47 - QD    PHE   95   8.92 +/- 0.92   2.048% *  2.9861% (0.76 10.00   0.02   0.02) =   0.072%
          HG2   LYS+ 112 - QD    PHE   95   9.86 +/- 2.09   1.910% *  0.1206% (0.31  1.00   0.02   0.02) =   0.003%
    Distance limit 4.30 A violated in 3 structures by 0.28 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.23, residual support = 17.4:
          HA    ILE  119 - HD2   HIS  122   2.44 +/- 0.34  97.541% * 57.0366% (0.73   4.24  17.71) =  98.184%  kept
          HA    THR  118 - HD2   HIS  122   4.78 +/- 0.19   2.442% * 42.1300% (0.57   4.01   2.63) =   1.816%  kept
          HD3   PRO   58 - HD2   HIS  122  13.00 +/- 1.65   0.008% *  0.1144% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.04 +/- 2.03   0.007% *  0.1031% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.74 +/- 2.73   0.001% *  0.2099% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  20.71 +/- 2.79   0.000% *  0.1662% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  24.36 +/- 1.99   0.000% *  0.2398% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.49, residual support = 68.5:
      O T HB2   HIS  122 - HD2   HIS  122   3.47 +/- 0.52  99.902% * 99.7225% (0.49  10.0 10.00   3.49  68.54) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.21 +/- 0.69   0.083% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.61 +/- 2.13   0.014% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.26 +/- 2.47   0.002% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.958, support = 3.93, residual support = 68.1:
      O T HB3   HIS  122 - HD2   HIS  122   3.16 +/- 0.51  86.471% * 85.5199% (0.97  10.0 10.00   3.91  68.54) =  97.432%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.83 +/- 1.36  13.527% * 14.4102% (0.69   1.0  1.00   4.73  50.44) =   2.568%  kept
          HG2   GLN   30 - HD2   HIS  122  20.43 +/- 3.88   0.002% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  24.50 +/- 1.63   0.000% *  0.0502% (0.57   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 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.379, support = 0.158, residual support = 0.0199:
          HB3   ASP- 105 - HD2   HIS  122   8.12 +/- 5.66  65.653% * 28.7364% (0.34   0.17   0.02) =  89.783%  kept
          HB    ILE   56 - HD2   HIS  122  12.58 +/- 1.70   8.476% *  9.4750% (0.98   0.02   0.02) =   3.822%  kept
          QB    LYS+ 106 - HD2   HIS  122  10.02 +/- 2.97   9.914% *  6.2533% (0.65   0.02   0.02) =   2.950%  kept
          HB3   PRO   58 - HD2   HIS  122  13.33 +/- 2.33   8.431% *  5.8630% (0.61   0.02   0.02) =   2.352%  kept
          HG3   PRO   68 - HD2   HIS  122  12.05 +/- 4.33   5.588% *  2.4103% (0.25   0.02   0.02) =   0.641%  kept
          HB2   MET   92 - HD2   HIS  122  18.37 +/- 1.31   0.378% *  7.7403% (0.80   0.02   0.02) =   0.139%
          HB    ILE  103 - HD2   HIS  122  15.03 +/- 5.29   0.674% *  2.6876% (0.28   0.02   0.02) =   0.086%
          HB3   LYS+  38 - HD2   HIS  122  19.81 +/- 5.63   0.133% *  9.6450% (1.00   0.02   0.02) =   0.061%
          HB3   GLN   30 - HD2   HIS  122  19.73 +/- 3.94   0.129% *  8.9232% (0.92   0.02   0.02) =   0.055%
          HG2   ARG+  54 - HD2   HIS  122  19.31 +/- 1.76   0.376% *  2.9835% (0.31   0.02   0.02) =   0.053%
          QB    LYS+  33 - HD2   HIS  122  19.56 +/- 3.94   0.127% *  4.3338% (0.45   0.02   0.02) =   0.026%
          HB3   GLN   90 - HD2   HIS  122  21.76 +/- 1.85   0.080% *  5.0857% (0.53   0.02   0.02) =   0.019%
          QB    LYS+  81 - HD2   HIS  122  23.98 +/- 2.05   0.042% *  5.8630% (0.61   0.02   0.02) =   0.012%
    Distance limit 4.56 A violated in 12 structures by 1.55 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.914, support = 5.79, residual support = 50.0:
          HB2   LYS+ 121 - HD2   HIS  122   4.09 +/- 0.49  94.349% * 68.9808% (0.92   5.82  50.44) =  97.780%  kept
          HB2   LEU  123 - HD2   HIS  122   6.99 +/- 0.77   4.978% * 29.6694% (0.53   4.40  31.06) =   2.219%  kept
          QD    LYS+  65 - HD2   HIS  122  12.97 +/- 2.24   0.212% *  0.2427% (0.95   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD2   HIS  122  16.86 +/- 5.23   0.063% *  0.1961% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.27 +/- 1.68   0.057% *  0.1453% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.04 +/- 2.44   0.078% *  0.0963% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  18.76 +/- 5.16   0.028% *  0.2560% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.69 +/- 1.26   0.163% *  0.0396% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.70 +/- 1.40   0.042% *  0.0713% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.42 +/- 3.05   0.007% *  0.2515% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.24 +/- 1.27   0.024% *  0.0508% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.828, support = 4.87, residual support = 50.4:
          HB3   LYS+ 121 - HD2   HIS  122   4.95 +/- 0.73  50.879% * 71.4126% (1.00   4.73  50.44) =  74.144%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.93 +/- 1.61  46.506% * 27.2326% (0.34   5.28  50.44) =  25.844%  kept
          QD    LYS+  66 - HD2   HIS  122   9.78 +/- 3.26   1.672% *  0.2197% (0.73   0.02   0.02) =   0.007%
          HG    LEU  104 - HD2   HIS  122  12.22 +/- 5.61   0.642% *  0.3020% (1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HD2   HIS  122  13.75 +/- 1.53   0.082% *  0.2921% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.41 +/- 1.94   0.044% *  0.2863% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  13.23 +/- 2.48   0.147% *  0.0841% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  21.37 +/- 4.51   0.012% *  0.1032% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.86 +/- 2.64   0.015% *  0.0674% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.174, support = 3.41, residual support = 17.6:
          QG2   ILE  119 - HD2   HIS  122   4.02 +/- 0.31  80.363% * 74.6063% (0.18  1.00   3.44  17.71) =  99.214%  kept
          QD1   LEU   67 - HD2   HIS  122   8.51 +/- 3.49  10.035% *  2.4741% (1.00  1.00   0.02   0.02) =   0.411%
          QD2   LEU   40 - HD2   HIS  122   8.80 +/- 4.70   6.721% *  2.4796% (1.00  1.00   0.02   0.37) =   0.276%
          QG2   ILE  103 - HD2   HIS  122  10.92 +/- 4.42   2.076% *  2.3930% (0.97  1.00   0.02   0.02) =   0.082%
          QD2   LEU   71 - HD2   HIS  122  13.33 +/- 3.87   0.350% *  1.0194% (0.41  1.00   0.02   0.02) =   0.006%
        T HB    VAL   75 - HD2   HIS  122  16.91 +/- 3.16   0.022% * 14.0384% (0.57 10.00   0.02   0.02) =   0.005%
          QD1   ILE  103 - HD2   HIS  122  12.89 +/- 4.35   0.407% *  0.7653% (0.31  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HD2   HIS  122  16.62 +/- 2.13   0.024% *  2.2238% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.50 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 = 31.0:
          QD1   LEU  123 - HD2   HIS  122   4.74 +/- 0.50  78.239% * 53.3909% (0.49   4.65  31.06) =  94.017%  kept
          QD2   LEU  123 - HD2   HIS  122   7.28 +/- 0.44   5.727% * 45.7610% (0.49   3.99  31.06) =   5.899%  kept
          HB3   LEU  104 - HD2   HIS  122  10.71 +/- 5.40   5.654% *  0.3940% (0.84   0.02   0.02) =   0.050%
          QG1   VAL   70 - HD2   HIS  122   8.89 +/- 4.06   8.212% *  0.1312% (0.28   0.02   0.02) =   0.024%
          QD1   LEU   71 - HD2   HIS  122  13.57 +/- 4.52   1.665% *  0.2296% (0.49   0.02   0.02) =   0.009%
          QG1   VAL   18 - HD2   HIS  122  11.78 +/- 2.36   0.503% *  0.0934% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.64 A violated in 1 structures by 0.20 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.986, residual support = 2.63:
        T QG2   THR  118 - HD2   HIS  122   3.31 +/- 0.09 100.000% *100.0000% (0.69 10.00   0.99   2.63) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.08 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 = 0.924, support = 1.12, residual support = 8.51:
          HB3   LEU   73 - HE3   TRP   27   4.08 +/- 1.30  78.969% * 77.3829% (0.94   1.13   8.66) =  98.248%  kept
          HG3   LYS+  65 - HN    LEU   67   6.11 +/- 0.60  11.739% *  8.8241% (0.15   0.80   0.02) =   1.665%  kept
          QB    LEU   98 - HE3   TRP   27   8.40 +/- 1.24   1.828% *  0.8213% (0.56   0.02   0.02) =   0.024%
          HG3   LYS+  33 - HE3   TRP   27   9.23 +/- 1.26   0.994% *  1.4475% (0.99   0.02   0.02) =   0.023%
          HB    VAL   42 - HE3   TRP   27   9.74 +/- 0.63   0.489% *  1.4220% (0.97   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HE3   TRP   27   8.05 +/- 0.54   1.332% *  0.4478% (0.31   0.02   0.02) =   0.010%
          HB2   LEU   80 - HE3   TRP   27   7.98 +/- 0.86   1.815% *  0.2541% (0.17   0.02  11.95) =   0.007%
          HB    VAL   42 - HN    LEU   67   8.49 +/- 0.96   1.052% *  0.2213% (0.15   0.02   0.02) =   0.004%
          HG    LEU   98 - HE3   TRP   27   9.75 +/- 1.37   0.741% *  0.1963% (0.13   0.02   0.02) =   0.002%
          QB    ALA   84 - HE3   TRP   27   9.89 +/- 0.61   0.492% *  0.2871% (0.20   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HE3   TRP   27  14.84 +/- 1.23   0.041% *  1.1087% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HE3   TRP   27  16.19 +/- 1.58   0.029% *  1.3392% (0.91   0.02   0.02) =   0.001%
          QB    ALA   12 - HE3   TRP   27  18.09 +/- 1.71   0.014% *  1.2118% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.33 +/- 0.52   0.073% *  0.2135% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  18.59 +/- 1.72   0.009% *  1.4220% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.33 +/- 1.60   0.047% *  0.1885% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  16.34 +/- 1.03   0.024% *  0.3230% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  13.71 +/- 0.82   0.056% *  0.1278% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  14.45 +/- 3.65   0.080% *  0.0628% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.47 +/- 2.48   0.025% *  0.1958% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.58 +/- 1.91   0.023% *  0.1725% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.02 +/- 1.11   0.047% *  0.0697% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  17.51 +/- 1.11   0.015% *  0.2252% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.78 +/- 2.14   0.002% *  1.2584% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.28 +/- 3.74   0.005% *  0.4034% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.85 +/- 2.06   0.005% *  0.2084% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.54 +/- 1.34   0.018% *  0.0503% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.68 +/- 1.19   0.025% *  0.0305% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  19.71 +/- 0.99   0.006% *  0.0447% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.15 +/- 1.10   0.003% *  0.0395% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    112
      with multiple volume contributions     :     88
      eliminated by violation filter         :      9
 
    Peaks:
      selected                               :    240
      without assignment                     :     24
      with assignment                        :    216
      with unique assignment                 :    138
      with multiple assignment               :     78
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    184
 
    Atoms with eliminated volume contribution > 2.5: